(4-chlorophenyl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone

Systemtic Name: (4-chlorophenyl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone Openeye Name: (4-chlorophenyl)-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]methanone CAS Name: (4-chlorophenyl)-[1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinyl]methanone IUPAC Name: (4-chlorophenyl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone Traditional Name: (4-chlorophenyl)-[1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]methanone Formula: C17H17ClN3O3+ MolecularWeight: 346.78818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O3/c18-14-3-1-12(2-4-14)17(22)13-7-9-20(10-8-13)16-6-5-15(11-19-16)21(23)24/h1-6,11,13H,7-10H2/p+1