N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanimine

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanimine Openeye Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanimine CAS Name: N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methanimine IUPAC Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanimine Traditional Name: (Z)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]amine Formula: C25H25ClN5S+ MolecularWeight: 463.0175

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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=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)/N=C\C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H24ClN5S/c26-22-10-8-20(9-11-22)18-29-12-14-30(15-13-29)27-17-21-19-31(23-5-2-1-3-6-23)28-25(21)24-7-4-16-32-24/h1-11,16-17,19H,12-15,18H2/p+1/b27-17-