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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]-N-veratryl-acetamide Formula: C20H29N3O3S+2 MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-25-18-6-5-16(12-19(18)26-2)13-21-20(24)15-23-9-7-22(8-10-23)14-17-4-3-11-27-17/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,21,24)/p+2