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

Systemtic Name: 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitro-pyridin-1-ium Openeye Name: 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidyl]-3-nitro-pyridin-1-ium CAS Name: 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitropyridin-1-ium IUPAC Name: 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitropyridin-1-ium Traditional Name: 2-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidino]-3-nitro-pyridin-1-ium Formula: C19H19ClN5O2+ MolecularWeight: 384.83946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O2/c20-15-5-3-13(4-6-15)16-12-17(23-22-16)14-7-10-24(11-8-14)19-18(25(26)27)2-1-9-21-19/h1-6,9,12,14H,7-8,10-11H2,(H,22,23)/p+1