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

Systemtic Name: 1-(3-methoxy-4-propoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Openeye Name: 1-(3-methoxy-4-propoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium CAS Name: 1-(3-methoxy-4-propoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium IUPAC Name: 1-(3-methoxy-4-propoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Traditional Name: 1-(3-methoxy-4-propoxy-phenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium Formula: C21H25N2O2+ MolecularWeight: 337.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C21H24N2O2/c1-3-12-25-18-9-8-14(13-19(18)24-2)20-21-16(10-11-22-20)15-6-4-5-7-17(15)23-21/h4-9,13,20,22-23H,3,10-12H2,1-2H3/p+1