3-[1-[[1-(2-methylpyridin-1-ium-4-yl)piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]propanoate

Systemtic Name: 3-[1-[[1-(2-methylpyridin-1-ium-4-yl)piperidin-4-yl]methyl]-1,2,3-triazol-4-yl]propanoate Openeye Name: 3-[1-[[1-(2-methylpyridin-1-ium-4-yl)-4-piperidyl]methyl]triazol-4-yl]propanoate CAS Name: 3-[1-[[1-(2-methyl-4-pyridin-1-iumyl)-4-piperidinyl]methyl]-4-triazolyl]propanoate IUPAC Name: 3-[1-[[1-(2-methylpyridin-1-ium-4-yl)piperidin-4-yl]methyl]triazol-4-yl]propanoate Traditional Name: 3-[1-[[1-(2-methylpyridin-1-ium-4-yl)-4-piperidyl]methyl]triazol-4-yl]propionate Formula: C17H23N5O2 MolecularWeight: 329.39682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=CC(=C1)N2CCC(CC2)CN3C=C(N=N3)CCC(=O)[O-]

Isomeric SMILES

CC1=[NH+]C=CC(=C1)N2CCC(CC2)CN3C=C(N=N3)CCC(=O)[O-]

InChI

InChI=1S/C17H23N5O2/c1-13-10-16(4-7-18-13)21-8-5-14(6-9-21)11-22-12-15(19-20-22)2-3-17(23)24/h4,7,10,12,14H,2-3,5-6,8-9,11H2,1H3,(H,23,24)