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

Systemtic Name: N-[(2S)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-1-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-methylsulfanyl-propyl]benzamide CAS Name: N-[(2S)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-1-(4-benzhydrylpiperazin-4-ium-1-carbonyl)-3-(methylthio)propyl]benzamide Formula: C29H34N3O2S+ MolecularWeight: 488.66416

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CSCC[C@@H](C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H33N3O2S/c1-35-22-17-26(30-28(33)25-15-9-4-10-16-25)29(34)32-20-18-31(19-21-32)27(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,26-27H,17-22H2,1H3,(H,30,33)/p+1/t26-/m0/s1