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

Systemtic Name: 4-(2-methyl-1,2,4-triazol-3-yl)-N-[(3S)-piperidin-1-ium-3-yl]pyrimidin-2-amine Openeye Name: 4-(2-methyl-1,2,4-triazol-3-yl)-N-[(3S)-piperidin-1-ium-3-yl]pyrimidin-2-amine CAS Name: 4-(2-methyl-1,2,4-triazol-3-yl)-N-[(3S)-3-piperidin-1-iumyl]-2-pyrimidinamine IUPAC Name: 4-(2-methyl-1,2,4-triazol-3-yl)-N-[(3S)-piperidin-1-ium-3-yl]pyrimidin-2-amine Traditional Name: [4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]-[(3S)-piperidin-1-ium-3-yl]amine Formula: C12H18N7+ MolecularWeight: 260.31822

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)C2=NC(=NC=C2)NC3CCC[NH2+]C3

Isomeric SMILES

CN1C(=NC=N1)C2=NC(=NC=C2)N[C@H]3CCC[NH2+]C3

InChI

InChI=1S/C12H17N7/c1-19-11(15-8-16-19)10-4-6-14-12(18-10)17-9-3-2-5-13-7-9/h4,6,8-9,13H,2-3,5,7H2,1H3,(H,14,17,18)/p+1/t9-/m0/s1