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

Systemtic Name: 1-[5-(4-chlorophenyl)-2,5-dimethyl-4-pyridin-4-yl-1H-pyrazol-2-ium-2-yl]-N,N-dimethyl-propan-1-amine Openeye Name: 1-[5-(4-chlorophenyl)-2,5-dimethyl-4-(4-pyridyl)-1H-pyrazol-2-ium-2-yl]-N,N-dimethyl-propan-1-amine CAS Name: 1-[5-(4-chlorophenyl)-2,5-dimethyl-4-pyridin-4-yl-1H-pyrazol-2-ium-2-yl]-N,N-dimethyl-1-propanamine IUPAC Name: 1-[5-(4-chlorophenyl)-2,5-dimethyl-4-pyridin-4-yl-1H-pyrazol-2-ium-2-yl]-N,N-dimethylpropan-1-amine Traditional Name: 1-[3-(4-chlorophenyl)-1,3-dimethyl-4-(4-pyridyl)-3-pyrazolin-1-ium-1-yl]propyl-dimethyl-amine Formula: C21H28ClN4+ MolecularWeight: 371.92682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN4/c1-6-20(25(3)4)26(5)15-19(16-11-13-23-14-12-16)21(2,24-26)17-7-9-18(22)10-8-17/h7-15,20,24H,6H2,1-5H3/q+1