N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-methyl-N-p-anisyl-acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)OC)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)OC)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-22(16-18-8-10-19(28-2)11-9-18)21(25)17-23-12-14-24(15-13-23)29(26,27)20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3/p+1