1-[5-(4-chlorophenyl)-2,5-dimethyl-4-pyridin-4-yl-1H-pyrazol-2-ium-2-yl]-N-propan-2-yl-propan-1-amine

Systemtic Name: 1-[5-(4-chlorophenyl)-2,5-dimethyl-4-pyridin-4-yl-1H-pyrazol-2-ium-2-yl]-N-propan-2-yl-propan-1-amine Openeye Name: 1-[5-(4-chlorophenyl)-2,5-dimethyl-4-(4-pyridyl)-1H-pyrazol-2-ium-2-yl]-N-isopropyl-propan-1-amine CAS Name: 1-[5-(4-chlorophenyl)-2,5-dimethyl-4-pyridin-4-yl-1H-pyrazol-2-ium-2-yl]-N-propan-2-yl-1-propanamine IUPAC Name: 1-[5-(4-chlorophenyl)-2,5-dimethyl-4-pyridin-4-yl-1H-pyrazol-2-ium-2-yl]-N-propan-2-ylpropan-1-amine Traditional Name: 1-[3-(4-chlorophenyl)-1,3-dimethyl-4-(4-pyridyl)-3-pyrazolin-1-ium-1-yl]propyl-isopropyl-amine Formula: C22H30ClN4+ MolecularWeight: 385.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NC(C)C)[N+]1(C=C(C(N1)(C)C2=CC=C(C=C2)Cl)C3=CC=NC=C3)C

Isomeric SMILES

CCC(NC(C)C)[N+]1(C=C(C(N1)(C)C2=CC=C(C=C2)Cl)C3=CC=NC=C3)C

InChI

InChI=1S/C22H30ClN4/c1-6-21(25-16(2)3)27(5)15-20(17-11-13-24-14-12-17)22(4,26-27)18-7-9-19(23)10-8-18/h7-16,21,25-26H,6H2,1-5H3/q+1