(4S)-1-phenyl-4-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4S)-1-phenyl-4-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4S)-1-phenyl-4-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]pyrrolidin-2-one CAS Name: (4S)-4-[oxo-[4-(2-pyridin-4-ylethyl)-1-piperazin-4-iumyl]methyl]-1-phenyl-2-pyrrolidinone IUPAC Name: (4S)-1-phenyl-4-[4-(2-pyridin-4-ylethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one Traditional Name: (4S)-1-phenyl-4-[4-[2-(4-pyridyl)ethyl]piperazin-4-ium-1-carbonyl]-2-pyrrolidone Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)C3CC(=O)N(C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=NC=C2)C(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4

InChI

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