O-Methylptelefolonium

AlkaPlorer ID: AK045729

Synonym: 'O-Methylptelefolonium'

IUPAC Name: 4,6,8-trimethoxy-9-methyl-2-prop-1-en-2-yl-2,3-dihydrofuro[2,3-b]quinolin-9-ium

Structure

SMILES: C=C(C)C1CC2=C(OC)C3=CC(OC)=CC(OC)=C3N(C)C2=[O+]1

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InChI: InChI=1S/C18H22NO4/c1-10(2)14-9-13-17(22-6)12-7-11(20-4)8-15(21-5)16(12)19(3)18(13)23-14/h7-8,14H,1,9H2,2-6H3/q+1

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InChIKey: GZDGTOJAUNXBGU-UHFFFAOYSA-N

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Reference

PubChem CID: 148759

CAS: 52768-97-5

NPASS: NPC69934

COCONUT: CNP0085436

Properties Information

Molecule Weight: 316.37700000000007

TPSA: 42.23

MolLogP: 2.921800000000001

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information