N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1,3-diphenylpyrazol-4-yl)methanimine

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1,3-diphenylpyrazol-4-yl)methanimine Openeye Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1,3-diphenylpyrazol-4-yl)methanimine CAS Name: N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(1,3-diphenyl-4-pyrazolyl)methanimine IUPAC Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1,3-diphenylpyrazol-4-yl)methanimine Traditional Name: (Z)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-[(1,3-diphenylpyrazol-4-yl)methylene]amine Formula: C27H27ClN5+ MolecularWeight: 456.98978

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)N=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)/N=C\C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26ClN5/c28-25-13-11-22(12-14-25)20-31-15-17-32(18-16-31)29-19-24-21-33(26-9-5-2-6-10-26)30-27(24)23-7-3-1-4-8-23/h1-14,19,21H,15-18,20H2/p+1/b29-19-