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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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