1-[(3,4-dimethoxyphenyl)methyl]-4-(3-nitropyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-nitropyridin-2-yl)piperazin-1-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-nitro-2-pyridyl)piperazin-1-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-nitro-2-pyridinyl)piperazin-1-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-4-(3-nitropyridin-2-yl)piperazin-1-ium Traditional Name: 1-(3-nitro-2-pyridyl)-4-veratryl-piperazin-4-ium Formula: C18H23N4O4+ MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H22N4O4/c1-25-16-6-5-14(12-17(16)26-2)13-20-8-10-21(11-9-20)18-15(22(23)24)4-3-7-19-18/h3-7,12H,8-11,13H2,1-2H3/p+1