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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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