N-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3S)-5-oxidanylidene-1-phenyl-pyrrolidin-3-yl]-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-[(3S)-5-oxo-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide CAS Name: N-[(3S)-5-oxo-1-phenyl-3-pyrrolidinyl]-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-[(3S)-5-keto-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carboxamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)NC3CC(=O)N(C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)N[C@H]3CC(=O)N(C3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2/c27-21-15-19(17-26(21)20-9-5-2-6-10-20)23-22(28)25-13-11-24(12-14-25)16-18-7-3-1-4-8-18/h1-10,19H,11-17H2,(H,23,28)/p+1/t19-/m0/s1