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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methyl-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-methylacetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-methylacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-p-anisylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H30N4O2S+2 MolecularWeight: 426.5749

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-25(16-22-24-20-5-3-4-6-21(20)30-22)23(28)17-27-13-11-26(12-14-27)15-18-7-9-19(29-2)10-8-18/h3-10H,11-17H2,1-2H3/p+2