(4S)-1-(2,5-dimethoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4S)-1-(2,5-dimethoxyphenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one CAS Name: (4S)-1-(2,5-dimethoxyphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-pyrrolidinone IUPAC Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one Traditional Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(2,5-dimethoxyphenyl)-2-pyrrolidone Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C[C@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O4/c1-30-20-8-9-22(31-2)21(15-20)27-17-19(14-23(27)28)24(29)26-12-10-25(11-13-26)16-18-6-4-3-5-7-18/h3-9,15,19H,10-14,16-17H2,1-2H3/p+1/t19-/m0/s1