N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H26N4OS2+2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C20H24N4OS2/c1-22(14-19-21-17-6-2-3-7-18(17)27-19)20(25)15-24-10-8-23(9-11-24)13-16-5-4-12-26-16/h2-7,12H,8-11,13-15H2,1H3/p+2