N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-methylacetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-acetamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c1-24(15-20-23-18-9-5-6-10-19(18)29-20)21(27)16-25-11-13-26(14-12-25)22(28)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+1