methyl 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-2-ylmethyl)benzoate

Systemtic Name: methyl 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-2-ylmethyl)benzoate Openeye Name: methyl 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-2-ylmethyl)benzoate CAS Name: 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-2-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-2-ylmethyl)benzoate Traditional Name: 4-(2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium-2-ylmethyl)benzoic acid methyl ester Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC3=C(C2)NC4=CC=CC=C34

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC3=C(C2)NC4=CC=CC=C34

InChI

InChI=1S/C20H20N2O2/c1-24-20(23)15-8-6-14(7-9-15)12-22-11-10-17-16-4-2-3-5-18(16)21-19(17)13-22/h2-9,21H,10-13H2,1H3/p+1