1-[(2,5-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-nosyl-piperazin-1-ium Formula: C19H24N3O6S+ MolecularWeight: 422.47536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-27-17-5-8-19(28-2)15(13-17)14-20-9-11-21(12-10-20)29(25,26)18-6-3-16(4-7-18)22(23)24/h3-8,13H,9-12,14H2,1-2H3/p+1