1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-chloranyl-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-5-chloranyl-phenyl]pyrrolidin-2-one Openeye Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-5-chloro-phenyl]pyrrolidin-2-one CAS Name: 1-[2-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-5-chlorophenyl]-2-pyrrolidinone IUPAC Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-5-chlorophenyl]pyrrolidin-2-one Traditional Name: 1-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-5-chloro-phenyl]-2-pyrrolidone Formula: C23H24ClN4O2S+ MolecularWeight: 455.98026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H23ClN4O2S/c24-16-7-8-17(19(14-16)28-9-3-6-22(28)29)23(30)27-12-10-26(11-13-27)15-21-25-18-4-1-2-5-20(18)31-21/h1-2,4-5,7-8,14H,3,6,9-13,15H2/p+1