[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]-piperazin-1-yl-methanone hydrochloride

Systemtic Name: [4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]-piperazin-1-yl-methanone hydrochloride Openeye Name: [4-(1-oxidopyridin-1-ium-4-yl)phenyl]-piperazin-1-yl-methanone hydrochloride CAS Name: [4-(1-oxido-4-pyridin-1-iumyl)phenyl]-(1-piperazinyl)methanone hydrochloride IUPAC Name: [4-(1-oxidopyridin-1-ium-4-yl)phenyl]-piperazin-1-ylmethanone hydrochloride Traditional Name: [4-(1-oxidopyridin-1-ium-4-yl)phenyl]-piperazino-methanone hydrochloride Formula: C16H18ClN3O2 MolecularWeight: 319.78602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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