N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide

Systemtic Name: N-[(2R)-4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: N-[(1R)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2R)-4-(methylthio)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: N-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1R)-1-(4-benzylpiperazin-4-ium-1-carbonyl)-3-(methylthio)propyl]benzamide Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-29-17-12-21(24-22(27)20-10-6-3-7-11-20)23(28)26-15-13-25(14-16-26)18-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3,(H,24,27)/p+1/t21-/m1/s1