5-(1-oxidanidylpyridin-1-ium-4-yl)-2-piperazin-1-yl-pyridine-3-carbonitrile hydrochloride

Systemtic Name: 5-(1-oxidanidylpyridin-1-ium-4-yl)-2-piperazin-1-yl-pyridine-3-carbonitrile hydrochloride Openeye Name: 5-(1-oxidopyridin-1-ium-4-yl)-2-piperazin-1-yl-pyridine-3-carbonitrile hydrochloride CAS Name: 5-(1-oxido-4-pyridin-1-iumyl)-2-(1-piperazinyl)-3-pyridinecarbonitrile hydrochloride IUPAC Name: 5-(1-oxidopyridin-1-ium-4-yl)-2-piperazin-1-ylpyridine-3-carbonitrile hydrochloride Traditional Name: 5-(1-oxidopyridin-1-ium-4-yl)-2-piperazino-nicotinonitrile hydrochloride Formula: C15H16ClN5O MolecularWeight: 317.77344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=C(C=C2C#N)C3=CC=[N+](C=C3)[O-].Cl

Isomeric SMILES

C1CN(CCN1)C2=NC=C(C=C2C#N)C3=CC=[N+](C=C3)[O-].Cl

InChI

InChI=1S/C15H15N5O.ClH/c16-10-13-9-14(12-1-5-20(21)6-2-12)11-18-15(13)19-7-3-17-4-8-19;/h1-2,5-6,9,11,17H,3-4,7-8H2;1H