2-[4-[[4-(methoxymethyl)-1,2,3-triazol-1-yl]methyl]piperidin-1-yl]-N-methyl-pyrimidin-1-ium-4-amine

Systemtic Name: 2-[4-[[4-(methoxymethyl)-1,2,3-triazol-1-yl]methyl]piperidin-1-yl]-N-methyl-pyrimidin-1-ium-4-amine Openeye Name: 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]-1-piperidyl]-N-methyl-pyrimidin-1-ium-4-amine CAS Name: 2-[4-[[4-(methoxymethyl)-1-triazolyl]methyl]-1-piperidinyl]-N-methyl-4-pyrimidin-1-iumamine IUPAC Name: 2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-N-methylpyrimidin-1-ium-4-amine Traditional Name: [2-[4-[[4-(methoxymethyl)triazol-1-yl]methyl]piperidino]pyrimidin-1-ium-4-yl]-methyl-amine Formula: C15H24N7O+ MolecularWeight: 318.39736

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=[NH+]C=C1)N2CCC(CC2)CN3C=C(N=N3)COC

Isomeric SMILES

CNC1=NC(=[NH+]C=C1)N2CCC(CC2)CN3C=C(N=N3)COC

InChI

InChI=1S/C15H23N7O/c1-16-14-3-6-17-15(18-14)21-7-4-12(5-8-21)9-22-10-13(11-23-2)19-20-22/h3,6,10,12H,4-5,7-9,11H2,1-2H3,(H,16,17,18)/p+1