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

Systemtic Name: [6-(2-methylprop-2-enylamino)pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone Openeye Name: [6-(2-methylallylamino)pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)-1-piperidyl]methanone CAS Name: [6-(2-methylprop-2-enylamino)-3-pyridin-1-iumyl]-[4-(1-pyrazolylmethyl)-1-piperidinyl]methanone IUPAC Name: [6-(2-methylprop-2-enylamino)pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone Traditional Name: [6-(2-methylallylamino)pyridin-1-ium-3-yl]-[4-(pyrazol-1-ylmethyl)piperidino]methanone Formula: C19H26N5O+ MolecularWeight: 340.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)CN3C=CC=N3

Isomeric SMILES

CC(=C)CNC1=[NH+]C=C(C=C1)C(=O)N2CCC(CC2)CN3C=CC=N3

InChI

InChI=1S/C19H25N5O/c1-15(2)12-20-18-5-4-17(13-21-18)19(25)23-10-6-16(7-11-23)14-24-9-3-8-22-24/h3-5,8-9,13,16H,1,6-7,10-12,14H2,2H3,(H,20,21)/p+1