(9S)-16-hydroxy-3,4,15-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-10-ium-10-olate

AlkaPlorer ID: AK413389

Synonym: None

IUPAC Name: (6aR)-2,10,11-trimethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-ol

Structure

SMILES: COC1=CC2=C3C(=C1O)C1=C(OC)C(OC)=CC=C1C[C@H]3[N+](C)([O-])CC2

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InChI: InChI=1S/C20H23NO5/c1-21(23)8-7-12-10-15(25-3)19(22)18-16(12)13(21)9-11-5-6-14(24-2)20(26-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-,21?/m1/s1

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InChIKey: IOQVEMNCFHPMHA-ILRUXTBWSA-N

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Source

Properties Information

Molecule Weight: 357.4060000000002

TPSA: 70.98

MolLogP: 3.1827000000000014

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information