methyl 4-[4-(aminomethyl)phenyl]carbonyl-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate

Systemtic Name: methyl 4-[4-(aminomethyl)phenyl]carbonyl-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate Openeye Name: methyl 4-[4-(aminomethyl)benzoyl]-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate CAS Name: 4-[[4-(aminomethyl)phenyl]-oxomethyl]-1-[dimethylamino(oxo)methyl]-1-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(aminomethyl)benzoyl]-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate Traditional Name: 4-[4-(aminomethyl)benzoyl]-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylic acid methyl ester Formula: C21H22N3O4+ MolecularWeight: 380.41708

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)[N+]1(C=CC2=C(C=CC=C21)C(=O)C3=CC=C(C=C3)CN)C(=O)OC

Isomeric SMILES

CN(C)C(=O)[N+]1(C=CC2=C(C=CC=C21)C(=O)C3=CC=C(C=C3)CN)C(=O)OC

InChI

InChI=1S/C21H22N3O4/c1-23(2)20(26)24(21(27)28-3)12-11-16-17(5-4-6-18(16)24)19(25)15-9-7-14(13-22)8-10-15/h4-12H,13,22H2,1-3H3/q+1