N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H27N3OS+2 MolecularWeight: 345.50218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3)C

InChI

InChI=1S/C19H25N3OS/c1-15-10-16(2)12-17(11-15)20-19(23)14-22-7-5-21(6-8-22)13-18-4-3-9-24-18/h3-4,9-12H,5-8,13-14H2,1-2H3,(H,20,23)/p+2