methyl 1-phenethyl-9H-pyrido[3,4-b]indol-2-ium-3-carboxylate

Systemtic Name: methyl 1-phenethyl-9H-pyrido[3,4-b]indol-2-ium-3-carboxylate Openeye Name: methyl 1-phenethyl-9H-pyrido[3,4-b]indol-2-ium-3-carboxylate CAS Name: 1-phenethyl-9H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 1-phenethyl-9H-pyrido[3,4-b]indol-2-ium-3-carboxylate Traditional Name: 1-phenethyl-9H-$b-carbolin-2-ium-3-carboxylic acid methyl ester Formula: C21H19N2O2+ MolecularWeight: 331.38776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[NH+]C(=C2C(=C1)C3=CC=CC=C3N2)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=[NH+]C(=C2C(=C1)C3=CC=CC=C3N2)CCC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O2/c1-25-21(24)19-13-16-15-9-5-6-10-17(15)23-20(16)18(22-19)12-11-14-7-3-2-4-8-14/h2-10,13,23H,11-12H2,1H3/p+1