(4R)-1-[(1S)-1-phenylethyl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4R)-1-[(1S)-1-phenylethyl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4R)-1-[(1S)-1-phenylethyl]-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one CAS Name: (4R)-4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]-1-[(1S)-1-phenylethyl]-2-pyrrolidinone IUPAC Name: (4R)-1-[(1S)-1-phenylethyl]-4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]pyrrolidin-2-one Traditional Name: (4R)-1-[(1S)-1-phenylethyl]-4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]-2-pyrrolidone Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2C[C@@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H28N4O2/c1-18(20-5-3-2-4-6-20)27-17-21(15-22(27)28)23(29)26-13-11-25(12-14-26)16-19-7-9-24-10-8-19/h2-10,18,21H,11-17H2,1H3/p+1/t18-,21+/m0/s1