methyl 4-(2-chloranyl-1-phenyl-ethyl)-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate

Systemtic Name: methyl 4-(2-chloranyl-1-phenyl-ethyl)-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate Openeye Name: methyl 4-(2-chloro-1-phenyl-ethyl)-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate CAS Name: 4-(2-chloro-1-phenylethyl)-1-[dimethylamino(oxo)methyl]-1-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloro-1-phenylethyl)-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylate Traditional Name: 4-(2-chloro-1-phenyl-ethyl)-1-(dimethylcarbamoyl)indol-1-ium-1-carboxylic acid methyl ester Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN2O3/c1-23(2)20(25)24(21(26)27-3)13-12-17-16(10-7-11-19(17)24)18(14-22)15-8-5-4-6-9-15/h4-13,18H,14H2,1-3H3/q+1