5-[[4-(4-cyclopropyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-N-propan-2-yl-pyrimidin-2-amine

Systemtic Name: 5-[[4-(4-cyclopropyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-N-propan-2-yl-pyrimidin-2-amine Openeye Name: 5-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-N-isopropyl-pyrimidin-2-amine CAS Name: 5-[[4-(4-cyclopropyl-1-triazolyl)-1-piperidin-1-iumyl]methyl]-N-propan-2-yl-2-pyrimidinamine IUPAC Name: 5-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine Traditional Name: [5-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]pyrimidin-2-yl]-isopropyl-amine Formula: C18H28N7+ MolecularWeight: 342.46182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=C(C=N1)C[NH+]2CCC(CC2)N3C=C(N=N3)C4CC4

Isomeric SMILES

CC(C)NC1=NC=C(C=N1)C[NH+]2CCC(CC2)N3C=C(N=N3)C4CC4

InChI

InChI=1S/C18H27N7/c1-13(2)21-18-19-9-14(10-20-18)11-24-7-5-16(6-8-24)25-12-17(22-23-25)15-3-4-15/h9-10,12-13,15-16H,3-8,11H2,1-2H3,(H,19,20,21)/p+1