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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-24(15-21-23-19-5-3-4-6-20(19)29-21)22(27)16-25-11-13-26(14-12-25)17-7-9-18(28-2)10-8-17/h3-10H,11-16H2,1-2H3/p+1