[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C25H23ClN5O+ MolecularWeight: 444.93602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C25H22ClN5O/c26-20-11-9-19(10-12-20)24-22(18-31(28-24)21-6-2-1-3-7-21)25(32)30-16-14-29(15-17-30)23-8-4-5-13-27-23/h1-13,18H,14-17H2/p+1