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

Systemtic Name: 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitro-pyridin-1-ium Openeye Name: 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-piperidyl]-3-nitro-pyridin-1-ium CAS Name: 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridin-1-ium IUPAC Name: 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitropyridin-1-ium Traditional Name: 2-[4-[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]piperidino]-3-nitro-pyridin-1-ium Formula: C19H18Cl2N5O2+ MolecularWeight: 419.28452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=NN2)C3=C(C=C(C=C3)Cl)Cl)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC(=NN2)C3=C(C=C(C=C3)Cl)Cl)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C19H17Cl2N5O2/c20-13-3-4-14(15(21)10-13)17-11-16(23-24-17)12-5-8-25(9-6-12)19-18(26(27)28)2-1-7-22-19/h1-4,7,10-12H,5-6,8-9H2,(H,23,24)/p+1