methyl 1-(dimethylcarbamoyl)-1-(4-methylthiophen-2-yl)indol-1-ium-3-carboxylate

Systemtic Name: methyl 1-(dimethylcarbamoyl)-1-(4-methylthiophen-2-yl)indol-1-ium-3-carboxylate Openeye Name: methyl 1-(dimethylcarbamoyl)-1-(4-methyl-2-thienyl)indol-1-ium-3-carboxylate CAS Name: 1-[dimethylamino(oxo)methyl]-1-(4-methyl-2-thiophenyl)-3-indol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(dimethylcarbamoyl)-1-(4-methylthiophen-2-yl)indol-1-ium-3-carboxylate Traditional Name: 1-(dimethylcarbamoyl)-1-(4-methyl-2-thienyl)indol-1-ium-3-carboxylic acid methyl ester Formula: C18H19N2O3S+ MolecularWeight: 343.42006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)[N+]2(C=C(C3=CC=CC=C32)C(=O)OC)C(=O)N(C)C

Isomeric SMILES

CC1=CSC(=C1)[N+]2(C=C(C3=CC=CC=C32)C(=O)OC)C(=O)N(C)C

InChI

InChI=1S/C18H19N2O3S/c1-12-9-16(24-11-12)20(18(22)19(2)3)10-14(17(21)23-4)13-7-5-6-8-15(13)20/h5-11H,1-4H3/q+1