4-(1-methylpyrazol-4-yl)-N-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]pyrimidin-2-amine

Systemtic Name: 4-(1-methylpyrazol-4-yl)-N-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]pyrimidin-2-amine Openeye Name: 4-(1-methylpyrazol-4-yl)-N-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]pyrimidin-2-amine CAS Name: 4-(1-methyl-4-pyrazolyl)-N-[2-[(3R)-3-phenyl-1-piperidin-1-iumyl]ethyl]-2-pyrimidinamine IUPAC Name: 4-(1-methylpyrazol-4-yl)-N-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]pyrimidin-2-amine Traditional Name: [4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]-[2-[(3R)-3-phenylpiperidin-1-ium-1-yl]ethyl]amine Formula: C21H27N6+ MolecularWeight: 363.47928

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC(=NC=C2)NCC[NH+]3CCCC(C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C2=NC(=NC=C2)NCC[NH+]3CCC[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N6/c1-26-15-19(14-24-26)20-9-10-22-21(25-20)23-11-13-27-12-5-8-18(16-27)17-6-3-2-4-7-17/h2-4,6-7,9-10,14-15,18H,5,8,11-13,16H2,1H3,(H,22,23,25)/p+1/t18-/m0/s1