3-[[4-[4-(4-methoxyphenyl)-1,2,3-triazol-1-yl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine

Systemtic Name: 3-[[4-[4-(4-methoxyphenyl)-1,2,3-triazol-1-yl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine Openeye Name: 3-[[4-[4-(4-methoxyphenyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine CAS Name: 3-[[4-[4-(4-methoxyphenyl)-1-triazolyl]-1-piperidin-1-iumyl]methyl]-2-pyridinamine IUPAC Name: 3-[[4-[4-(4-methoxyphenyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine Traditional Name: [3-[[4-[4-(4-methoxyphenyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]-2-pyridyl]amine Formula: C20H25N6O+ MolecularWeight: 365.4521

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN(N=N2)C3CC[NH+](CC3)CC4=C(N=CC=C4)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN(N=N2)C3CC[NH+](CC3)CC4=C(N=CC=C4)N

InChI

InChI=1S/C20H24N6O/c1-27-18-6-4-15(5-7-18)19-14-26(24-23-19)17-8-11-25(12-9-17)13-16-3-2-10-22-20(16)21/h2-7,10,14,17H,8-9,11-13H2,1H3,(H2,21,22)/p+1