(2S)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanyl-propanamide

Systemtic Name: (2S)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanyl-propanamide Openeye Name: (2S)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanyl-propanamide CAS Name: (2S)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(phenylthio)propanamide IUPAC Name: (2S)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenylsulfanylpropanamide Traditional Name: (2S)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(phenylthio)propionamide Formula: C21H28N3OS+ MolecularWeight: 370.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C(C)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)[C@H](C)SC3=CC=CC=C3

InChI

InChI=1S/C21H27N3OS/c1-16-15-18(24-13-11-23(3)12-14-24)9-10-20(16)22-21(25)17(2)26-19-7-5-4-6-8-19/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)/p+1/t17-/m0/s1