N-[[3-(2-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl]hexan-1-amine

Systemtic Name: N-[[3-(2-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl]hexan-1-amine Openeye Name: N-[[3-(2-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl]hexan-1-amine CAS Name: N-[[3-(2-chlorophenyl)-1-phenyl-4-pyrazol-1-iumylidene]methyl]-1-hexanamine IUPAC Name: N-[[3-(2-chlorophenyl)-1-phenylpyrazol-1-ium-4-ylidene]methyl]hexan-1-amine Traditional Name: [3-(2-chlorophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl-hexyl-amine Formula: C22H25ClN3+ MolecularWeight: 366.907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC=C1C=[N+](N=C1C2=CC=CC=C2Cl)C3=CC=CC=C3

Isomeric SMILES

CCCCCCNC=C1C=[N+](N=C1C2=CC=CC=C2Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H24ClN3/c1-2-3-4-10-15-24-16-18-17-26(19-11-6-5-7-12-19)25-22(18)20-13-8-9-14-21(20)23/h5-9,11-14,16-17H,2-4,10,15H2,1H3/p+1