[2-(1-oxidanidylpyridin-1-ium-2-yl)phenyl]-piperazin-1-yl-methanone hydrochloride

Systemtic Name: [2-(1-oxidanidylpyridin-1-ium-2-yl)phenyl]-piperazin-1-yl-methanone hydrochloride Openeye Name: [2-(1-oxidopyridin-1-ium-2-yl)phenyl]-piperazin-1-yl-methanone hydrochloride CAS Name: [2-(1-oxido-2-pyridin-1-iumyl)phenyl]-(1-piperazinyl)methanone hydrochloride IUPAC Name: [2-(1-oxidopyridin-1-ium-2-yl)phenyl]-piperazin-1-ylmethanone hydrochloride Traditional Name: [2-(1-oxidopyridin-1-ium-2-yl)phenyl]-piperazino-methanone hydrochloride Formula: C16H18ClN3O2 MolecularWeight: 319.78602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2=CC=CC=C2C3=CC=CC=[N+]3[O-].Cl

Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC=CC=C2C3=CC=CC=[N+]3[O-].Cl

InChI

InChI=1S/C16H17N3O2.ClH/c20-16(18-11-8-17-9-12-18)14-6-2-1-5-13(14)15-7-3-4-10-19(15)21;/h1-7,10,17H,8-9,11-12H2;1H