(4S)-1-(3-chloranyl-4-methyl-phenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4S)-1-(3-chloranyl-4-methyl-phenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(3-chloro-4-methyl-phenyl)pyrrolidin-2-one CAS Name: (4S)-1-(3-chloro-4-methylphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-pyrrolidinone IUPAC Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(3-chloro-4-methylphenyl)pyrrolidin-2-one Traditional Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(3-chloro-4-methyl-phenyl)-2-pyrrolidone Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H26ClN3O2/c1-17-7-8-20(14-21(17)24)27-16-19(13-22(27)28)23(29)26-11-9-25(10-12-26)15-18-5-3-2-4-6-18/h2-8,14,19H,9-13,15-16H2,1H3/p+1/t19-/m0/s1