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

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H27N3O3S+2 MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C19H25N3O3S/c1-24-15-5-6-18(25-2)17(12-15)20-19(23)14-22-9-7-21(8-10-22)13-16-4-3-11-26-16/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,20,23)/p+2