N-[1-[3-[(2-methylsulfanylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[3-[(2-methylsulfanylphenyl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[3-(2-methylsulfanylanilino)-3-oxo-propyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[3-[2-(methylthio)anilino]-3-oxopropyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[3-keto-3-[2-(methylthio)anilino]propyl]piperidin-1-ium-4-yl]benzamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-28-20-10-6-5-9-19(20)24-21(26)13-16-25-14-11-18(12-15-25)23-22(27)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,27)(H,24,26)/p+1