[6-(2-methylprop-2-enylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone

Systemtic Name: [6-(2-methylprop-2-enylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Openeye Name: [6-(2-methylallylamino)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)-1-piperidyl]methanone CAS Name: [6-(2-methylprop-2-enylamino)-3-pyridin-1-iumyl]-[4-(3-pyridinyloxy)-1-piperidinyl]methanone IUPAC Name: [6-(2-methylprop-2-enylamino)pyridin-1-ium-3-yl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone Traditional Name: [6-(2-methylallylamino)pyridin-1-ium-3-yl]-[4-(3-pyridyloxy)piperidino]methanone Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)OC3=CN=CC=C3

Isomeric SMILES

CC(=C)CNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)OC3=CN=CC=C3

InChI

InChI=1S/C20H24N4O2/c1-15(2)12-22-19-6-5-16(13-23-19)20(25)24-10-7-17(8-11-24)26-18-4-3-9-21-14-18/h3-6,9,13-14,17H,1,7-8,10-12H2,2H3,(H,22,23)/p+1