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

Systemtic Name: (4S)-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]carbonyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one Openeye Name: (4S)-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one CAS Name: (4S)-4-[oxo-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]methyl]-1-[(1R)-1-phenylethyl]-2-pyrrolidinone IUPAC Name: (4S)-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-1-[(1R)-1-phenylethyl]pyrrolidin-2-one Traditional Name: (4S)-4-[4-(2-phenoxyethyl)piperazin-4-ium-1-carbonyl]-1-[(1R)-1-phenylethyl]-2-pyrrolidone Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C[C@H](CC2=O)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c1-20(21-8-4-2-5-9-21)28-19-22(18-24(28)29)25(30)27-14-12-26(13-15-27)16-17-31-23-10-6-3-7-11-23/h2-11,20,22H,12-19H2,1H3/p+1/t20-,22+/m1/s1