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

Systemtic Name: (4-methylphenyl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone Openeye Name: [1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]-(p-tolyl)methanone CAS Name: (4-methylphenyl)-[1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinyl]methanone IUPAC Name: (4-methylphenyl)-[1-(5-nitropyridin-1-ium-2-yl)piperidin-4-yl]methanone Traditional Name: [1-(5-nitropyridin-1-ium-2-yl)-4-piperidyl]-(p-tolyl)methanone Formula: C18H20N3O3+ MolecularWeight: 326.3697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3/c1-13-2-4-14(5-3-13)18(22)15-8-10-20(11-9-15)17-7-6-16(12-19-17)21(23)24/h2-7,12,15H,8-11H2,1H3/p+1