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

Systemtic Name: [3-(4-chlorophenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-(4-chlorophenyl)-1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C26H25ClN5O+ MolecularWeight: 458.9626

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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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C26H24ClN5O/c27-22-11-9-21(10-12-22)25-23(19-32(29-25)18-20-6-2-1-3-7-20)26(33)31-16-14-30(15-17-31)24-8-4-5-13-28-24/h1-13,19H,14-18H2/p+1