1-[(2,5-dimethoxyphenyl)methyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium Openeye Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(5-nitro-2-pyridyl)piperazin-1-ium CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(5-nitro-2-pyridinyl)piperazin-1-ium IUPAC Name: 1-[(2,5-dimethoxyphenyl)methyl]-4-(5-nitropyridin-2-yl)piperazin-1-ium Traditional Name: 1-(2,5-dimethoxybenzyl)-4-(5-nitro-2-pyridyl)piperazin-1-ium Formula: C18H23N4O4+ MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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