1-[(2,3-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-nosyl-4-o-veratryl-piperazin-4-ium Formula: C19H24N3O6S+ MolecularWeight: 422.47536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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