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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2,4-dimethylbenzyl)-N-methyl-acetamide Formula: C24H32N4OS+2 MolecularWeight: 424.60208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4OS/c1-18-8-9-20(19(2)14-18)15-26(3)24(29)17-28-12-10-27(11-13-28)16-23-25-21-6-4-5-7-22(21)30-23/h4-9,14H,10-13,15-17H2,1-3H3/p+2