N-(2-ethyl-6-methyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H29N3OS+2 MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3)C

InChI

InChI=1S/C20H27N3OS/c1-3-17-7-4-6-16(2)20(17)21-19(24)15-23-11-9-22(10-12-23)14-18-8-5-13-25-18/h4-8,13H,3,9-12,14-15H2,1-2H3,(H,21,24)/p+2