1-(4-methoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid

Systemtic Name: 1-(4-methoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid Openeye Name: 1-(4-methoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid CAS Name: 1-(4-methoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid IUPAC Name: 1-(4-methoxycarbonylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylic acid Traditional Name: 1-(4-carbomethoxyphenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-3-carboxylic acid Formula: C20H19N2O4+ MolecularWeight: 351.37586

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C3=C(CC([NH2+]2)C(=O)O)C4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C3=C(CC([NH2+]2)C(=O)O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H18N2O4/c1-26-20(25)12-8-6-11(7-9-12)17-18-14(10-16(22-17)19(23)24)13-4-2-3-5-15(13)21-18/h2-9,16-17,21-22H,10H2,1H3,(H,23,24)/p+1