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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-methyl-acetamide Formula: C22H28N4OS+2 MolecularWeight: 396.54892

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-24(16-21-23-19-9-5-6-10-20(19)28-21)22(27)17-26-13-11-25(12-14-26)15-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3/p+2