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

Systemtic Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: N-[2-(2-thienyl)ethyl]-2-(4-veratrylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H31N3O3S+2 MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCC3=CC=CS3)OC

InChI

InChI=1S/C21H29N3O3S/c1-26-19-6-5-17(14-20(19)27-2)15-23-9-11-24(12-10-23)16-21(25)22-8-7-18-4-3-13-28-18/h3-6,13-14H,7-12,15-16H2,1-2H3,(H,22,25)/p+2