4-[[4-(4-tert-butyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-5-(hydroxymethyl)-2-methyl-pyridin-3-ol

Systemtic Name: 4-[[4-(4-tert-butyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-5-(hydroxymethyl)-2-methyl-pyridin-3-ol Openeye Name: 4-[[4-(4-tert-butyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-5-(hydroxymethyl)-2-methyl-pyridin-3-ol CAS Name: 4-[[4-(4-tert-butyl-1-triazolyl)-1-piperidin-1-iumyl]methyl]-5-(hydroxymethyl)-2-methyl-3-pyridinol IUPAC Name: 4-[[4-(4-tert-butyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol Traditional Name: 4-[[4-(4-tert-butyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methyl-5-methylol-pyridin-3-ol Formula: C19H30N5O2+ MolecularWeight: 360.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C[NH+]2CCC(CC2)N3C=C(N=N3)C(C)(C)C)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)C[NH+]2CCC(CC2)N3C=C(N=N3)C(C)(C)C)CO

InChI

InChI=1S/C19H29N5O2/c1-13-18(26)16(14(12-25)9-20-13)10-23-7-5-15(6-8-23)24-11-17(21-22-24)19(2,3)4/h9,11,15,25-26H,5-8,10,12H2,1-4H3/p+1