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

Systemtic Name: methyl 1-(dimethylcarbamoyl)-4-[4-(1-hydroxyethyl)phenyl]carbonyl-indol-1-ium-1-carboxylate Openeye Name: methyl 1-(dimethylcarbamoyl)-4-[4-(1-hydroxyethyl)benzoyl]indol-1-ium-1-carboxylate CAS Name: 1-[dimethylamino(oxo)methyl]-4-[[4-(1-hydroxyethyl)phenyl]-oxomethyl]-1-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(dimethylcarbamoyl)-4-[4-(1-hydroxyethyl)benzoyl]indol-1-ium-1-carboxylate Traditional Name: 1-(dimethylcarbamoyl)-4-[4-(1-hydroxyethyl)benzoyl]indol-1-ium-1-carboxylic acid methyl ester Formula: C22H23N2O5+ MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)C2=C3C=C[N+](C3=CC=C2)(C(=O)N(C)C)C(=O)OC)O

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)C2=C3C=C[N+](C3=CC=C2)(C(=O)N(C)C)C(=O)OC)O

InChI

InChI=1S/C22H23N2O5/c1-14(25)15-8-10-16(11-9-15)20(26)18-6-5-7-19-17(18)12-13-24(19,22(28)29-4)21(27)23(2)3/h5-14,25H,1-4H3/q+1