6-methoxy-1-(3-methoxy-4-propoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium

Systemtic Name: 6-methoxy-1-(3-methoxy-4-propoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Openeye Name: 6-methoxy-1-(3-methoxy-4-propoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium CAS Name: 6-methoxy-1-(3-methoxy-4-propoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium IUPAC Name: 6-methoxy-1-(3-methoxy-4-propoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Traditional Name: 6-methoxy-1-(3-methoxy-4-propoxy-phenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3=C(CC[NH2+]2)C4=C(N3)C=CC(=C4)OC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C3=C(CC[NH2+]2)C4=C(N3)C=CC(=C4)OC)OC

InChI

InChI=1S/C22H26N2O3/c1-4-11-27-19-8-5-14(12-20(19)26-3)21-22-16(9-10-23-21)17-13-15(25-2)6-7-18(17)24-22/h5-8,12-13,21,23-24H,4,9-11H2,1-3H3/p+1