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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-homoveratryl-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C26H32N3O5S+ MolecularWeight: 498.61438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC

InChI

InChI=1S/C26H31N3O5S/c1-33-24-10-7-20(17-25(24)34-2)11-12-27-26(30)19-28-13-15-29(16-14-28)35(31,32)23-9-8-21-5-3-4-6-22(21)18-23/h3-10,17-18H,11-16,19H2,1-2H3,(H,27,30)/p+1