(2R)-N-(3-methylsulfanylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(3-methylsulfanylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-(3-methylsulfanylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[3-(methylthio)phenyl]-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(3-methylsulfanylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-[3-(methylthio)phenyl]-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)SC)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)SC)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3OS/c1-16(20(24)21-17-7-6-10-19(15-17)25-2)22-11-13-23(14-12-22)18-8-4-3-5-9-18/h3-10,15-16H,11-14H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1