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

Systemtic Name: 2-[(3-ethoxy-4-methoxy-phenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Openeye Name: 2-[(3-ethoxy-4-methoxy-phenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium CAS Name: 2-[(3-ethoxy-4-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium IUPAC Name: 2-[(3-ethoxy-4-methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Traditional Name: 2-(3-ethoxy-4-methoxy-benzyl)-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:

CCOC1=C(C=CC(=C1)C[NH+]2CCC3=C(C2)NC4=CC=CC=C34)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC3=C(C2)NC4=CC=CC=C34)OC

InChI

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