4-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrimidin-2-amine

Systemtic Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrimidin-2-amine Openeye Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrimidin-2-amine CAS Name: 4-[1-(4-chlorophenyl)-4-pyrazolyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-pyrimidinamine IUPAC Name: 4-[1-(4-chlorophenyl)pyrazol-4-yl]-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrimidin-2-amine Traditional Name: [4-[1-(4-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C19H22ClN6+ MolecularWeight: 369.87118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CCNC2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H21ClN6/c20-16-3-5-17(6-4-16)26-14-15(13-23-26)18-7-8-21-19(24-18)22-9-12-25-10-1-2-11-25/h3-8,13-14H,1-2,9-12H2,(H,21,22,24)/p+1