N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-homoveratryl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C23H32N3O6S+ MolecularWeight: 478.58168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O6S/c1-30-19-5-7-20(8-6-19)33(28,29)26-14-12-25(13-15-26)17-23(27)24-11-10-18-4-9-21(31-2)22(16-18)32-3/h4-9,16H,10-15,17H2,1-3H3,(H,24,27)/p+1