N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-m-anisyl-N-methyl-acetamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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