1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]piperidin-2-one

Systemtic Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]piperidin-2-one Openeye Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]piperidin-2-one CAS Name: 1-[4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-piperidinone IUPAC Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]piperidin-2-one Traditional Name: 1-[4-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-piperidone Formula: C24H27N4O2S+ MolecularWeight: 435.56178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H26N4O2S/c29-23-7-3-4-12-28(23)19-10-8-18(9-11-19)24(30)27-15-13-26(14-16-27)17-22-25-20-5-1-2-6-21(20)31-22/h1-2,5-6,8-11H,3-4,7,12-17H2/p+1