1-[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-oxoethyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-keto-ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-16-4-5-17(2)21(14-16)29-20-8-6-19(7-9-20)25-22(27)15-26-12-10-18(11-13-26)23(28)24-3/h4-9,14,18H,10-13,15H2,1-3H3,(H,24,28)(H,25,27)/p+1