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

Systemtic Name: 1-[3-[(2-methylsulfanylphenyl)amino]-3-oxidanylidene-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[3-(2-methylsulfanylanilino)-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-[2-(methylthio)anilino]-3-oxopropyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[3-(2-methylsulfanylanilino)-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[3-keto-3-[2-(methylthio)anilino]propyl]piperidin-1-ium-4-carboxamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-29-21-10-6-5-9-20(21)25-22(27)13-16-26-14-11-19(12-15-26)23(28)24-17-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3,(H,24,28)(H,25,27)/p+1