(4S)-4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-(4-methylphenyl)pyrrolidin-2-one

Systemtic Name: (4S)-4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-1-(4-methylphenyl)pyrrolidin-2-one Openeye Name: (4S)-4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-(p-tolyl)pyrrolidin-2-one CAS Name: (4S)-4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-(4-methylphenyl)-2-pyrrolidinone IUPAC Name: (4S)-4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one Traditional Name: (4S)-4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-1-(p-tolyl)-2-pyrrolidone Formula: C24H27N4O2S+ MolecularWeight: 435.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H26N4O2S/c1-17-6-8-19(9-7-17)28-15-18(14-23(28)29)24(30)27-12-10-26(11-13-27)16-22-25-20-4-2-3-5-21(20)31-22/h2-9,18H,10-16H2,1H3/p+1/t18-/m0/s1