1-[(2,3-dimethoxyphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-o-veratryl-piperazin-4-ium Formula: C19H25N2O4S+ MolecularWeight: 377.4778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N2O4S/c1-24-18-10-6-7-16(19(18)25-2)15-20-11-13-21(14-12-20)26(22,23)17-8-4-3-5-9-17/h3-10H,11-15H2,1-2H3/p+1