4-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrimidin-2-amine

Systemtic Name: 4-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrimidin-2-amine Openeye Name: 4-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrimidin-2-amine CAS Name: 4-[1-(2-chlorophenyl)-4-pyrazolyl]-N-[(3S)-1-methyl-3-piperidin-1-iumyl]-2-pyrimidinamine IUPAC Name: 4-[1-(2-chlorophenyl)pyrazol-4-yl]-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrimidin-2-amine Traditional Name: [4-[1-(2-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-[(3S)-1-methylpiperidin-1-ium-3-yl]amine Formula: C19H22ClN6+ MolecularWeight: 369.87118

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)NC2=NC=CC(=N2)C3=CN(N=C3)C4=CC=CC=C4Cl

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)NC2=NC=CC(=N2)C3=CN(N=C3)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H21ClN6/c1-25-10-4-5-15(13-25)23-19-21-9-8-17(24-19)14-11-22-26(12-14)18-7-3-2-6-16(18)20/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3,(H,21,23,24)/p+1/t15-/m0/s1