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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OC)C(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=CC(=CC=C1)OC)C(=O)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

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