N-(4-methylphenyl)-2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]sulfanyl-ethanamide Openeye Name: 2-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]thio]acetamide IUPAC Name: 2-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-N-(p-tolyl)acetamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS[C@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-18-8-10-21(11-9-18)24-22(27)17-29-19(2)23(28)26-14-12-25(13-15-26)16-20-6-4-3-5-7-20/h3-11,19H,12-17H2,1-2H3,(H,24,27)/p+1/t19-/m1/s1