(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) N-phenyl-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) N-phenyl-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-benzyl-N-phenyl-piperazin-4-ium-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazin-4-iumcarboximidothioic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-benzyl-N-phenylpiperazin-4-ium-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazin-4-ium-1-carboximidothioic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C24H31N4OS+ MolecularWeight: 423.59414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC(=NC2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC(=NC2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4OS/c29-23(27-13-7-8-14-27)20-30-24(25-22-11-5-2-6-12-22)28-17-15-26(16-18-28)19-21-9-3-1-4-10-21/h1-6,9-12H,7-8,13-20H2/p+1