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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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