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

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(2-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(2-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(2-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-o-anisyl-piperazin-4-ium Formula: C18H23N2O3S+ MolecularWeight: 347.45182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3S/c1-23-18-10-6-5-7-16(18)15-19-11-13-20(14-12-19)24(21,22)17-8-3-2-4-9-17/h2-10H,11-15H2,1H3/p+1