N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine

Systemtic Name: N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine Openeye Name: N-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine CAS Name: N-[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]-4-(1,3,5-trimethyl-4-pyrazolyl)-2-pyrimidinamine IUPAC Name: N-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine Traditional Name: [1-(2-pyridylmethyl)piperidin-1-ium-4-yl]-[4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-yl]amine Formula: C21H28N7+ MolecularWeight: 378.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC(=NC=C2)NC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC(=NC=C2)NC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C21H27N7/c1-15-20(16(2)27(3)26-15)19-7-11-23-21(25-19)24-17-8-12-28(13-9-17)14-18-6-4-5-10-22-18/h4-7,10-11,17H,8-9,12-14H2,1-3H3,(H,23,24,25)/p+1