(11S,12R)-11,16-dihydroxy-15-methoxy-1-methyl-5,7-dioxa-1-azapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2(10),3,8,13(18),14,16-hexaen-1-ium
AlkaPlorer ID: AK272614
Synonym: None
IUPAC Name: (1R,11S,12R)-15-methoxy-1-methyl-5,7-dioxa-1-azoniapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-11,16-diol
Structure
SMILES: COC1=CC2=C(C=C1O)CC[N@@+]1(C)C3=CC4=C(C=C3[C@H](O)[C@@H]21)OCO4
InChI: InChI=1S/C19H19NO5/c1-20-4-3-10-5-14(21)15(23-2)6-11(10)18(20)19(22)12-7-16-17(8-13(12)20)25-9-24-16/h5-8,18-19,22H,3-4,9H2,1-2H3/p+1/t18-,19+,20+/m1/s1
InChIKey: CVCLYISJHIEWIH-AABGKKOBSA-O
Source
Properties Information
Molecule Weight: 342.37100000000004
TPSA？: 68.15
MolLogP？: 2.4110000000000005
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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