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

Systemtic Name: 3-nitro-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]pyridin-1-ium Openeye Name: 3-nitro-2-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]-1-piperidyl]pyridin-1-ium CAS Name: 3-nitro-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-piperidinyl]pyridin-1-ium IUPAC Name: 3-nitro-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]pyridin-1-ium Traditional Name: 3-nitro-2-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]piperidino]pyridin-1-ium Formula: C17H18N5O2S+ MolecularWeight: 356.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=NN2)C3=CC=CS3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC(=NN2)C3=CC=CS3)C4=C(C=CC=[NH+]4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O2S/c23-22(24)15-3-1-7-18-17(15)21-8-5-12(6-9-21)13-11-14(20-19-13)16-4-2-10-25-16/h1-4,7,10-12H,5-6,8-9H2,(H,19,20)/p+1