1-(2-methoxyphenyl)-4-(phenylsulfonyl)piperazin-1-ium chloride

Systemtic Name: 1-(2-methoxyphenyl)-4-(phenylsulfonyl)piperazin-1-ium chloride Openeye Name: 1-(benzenesulfonyl)-4-(2-methoxyphenyl)piperazin-4-ium chloride CAS Name: 1-(benzenesulfonyl)-4-(2-methoxyphenyl)piperazin-4-ium chloride IUPAC Name: 1-(benzenesulfonyl)-4-(2-methoxyphenyl)piperazin-4-ium chloride Traditional Name: 1-besyl-4-(2-methoxyphenyl)piperazin-4-ium chloride Formula: C17H21ClN2O3S MolecularWeight: 368.87824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=CC=CC=C1[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H20N2O3S.ClH/c1-22-17-10-6-5-9-16(17)18-11-13-19(14-12-18)23(20,21)15-7-3-2-4-8-15;/h2-10H,11-14H2,1H3;1H