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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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