methyl 1-[2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H29N2O3S+ MolecularWeight: 413.55296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)OC)C

InChI

InChI=1S/C23H28N2O3S/c1-16-4-7-21(14-17(16)2)29-20-8-5-19(6-9-20)24-22(26)15-25-12-10-18(11-13-25)23(27)28-3/h4-9,14,18H,10-13,15H2,1-3H3,(H,24,26)/p+1