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

Systemtic Name: N-[(2R)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1R)-3-methylsulfanyl-1-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide CAS Name: N-[(2R)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2R)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1R)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]-3-(methylthio)propyl]benzamide Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)[C@@H](CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c1-19-8-6-7-11-21(19)18-26-13-15-27(16-14-26)24(29)22(12-17-30-2)25-23(28)20-9-4-3-5-10-20/h3-11,22H,12-18H2,1-2H3,(H,25,28)/p+1/t22-/m1/s1