2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitro-pyridin-1-ium

Systemtic Name: 2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitro-pyridin-1-ium Openeye Name: 2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-1-piperidyl]-3-nitro-pyridin-1-ium CAS Name: 2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridin-1-ium IUPAC Name: 2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitropyridin-1-ium Traditional Name: 2-[4-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidino]-3-nitro-pyridin-1-ium Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NNC(=C2)C3CCN(CC3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NNC(=C2)C3CCN(CC3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O4/c1-29-15-5-6-20(30-2)16(12-15)18-13-17(23-24-18)14-7-10-25(11-8-14)21-19(26(27)28)4-3-9-22-21/h3-6,9,12-14H,7-8,10-11H2,1-2H3,(H,23,24)/p+1