2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C23H27N4O3S+ MolecularWeight: 439.55048

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N4O3S/c1-25(14-22-24-18-4-2-3-5-21(18)31-22)23(28)15-27-10-8-26(9-11-27)13-17-6-7-19-20(12-17)30-16-29-19/h2-7,12H,8-11,13-16H2,1H3/p+1