2-[[4-[1-(3-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[1-(3-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[1-(3-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[4-[1-(3-chlorophenyl)-4-pyrazolyl]-2-pyrimidinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[1-(3-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-[1-(3-chlorophenyl)pyrazol-4-yl]pyrimidin-2-yl]amino]ethyl-dimethyl-ammonium Formula: C17H20ClN6+ MolecularWeight: 343.8339

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC1=NC=CC(=N1)C2=CN(N=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[NH+](C)CCNC1=NC=CC(=N1)C2=CN(N=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H19ClN6/c1-23(2)9-8-20-17-19-7-6-16(22-17)13-11-21-24(12-13)15-5-3-4-14(18)10-15/h3-7,10-12H,8-9H2,1-2H3,(H,19,20,22)/p+1