(2R)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(2-phenylsulfanylphenyl)propanamide

Systemtic Name: (2R)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Openeye Name: (2R)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(2-phenylsulfanylphenyl)propanamide CAS Name: (2R)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-N-[2-(phenylthio)phenyl]propanamide IUPAC Name: (2R)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-N-(2-phenylsulfanylphenyl)propanamide Traditional Name: (2R)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-[2-(phenylthio)phenyl]propionamide Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C25H32N4O2S/c1-20(28-17-15-27(16-18-28)19-24(30)29-13-7-8-14-29)25(31)26-22-11-5-6-12-23(22)32-21-9-3-2-4-10-21/h2-6,9-12,20H,7-8,13-19H2,1H3,(H,26,31)/p+1/t20-/m1/s1