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

Systemtic Name: [3-phenyl-1-(phenylmethyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C26H26N5O+ MolecularWeight: 424.51754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O/c32-26(30-17-15-29(16-18-30)24-13-7-8-14-27-24)23-20-31(19-21-9-3-1-4-10-21)28-25(23)22-11-5-2-6-12-22/h1-14,20H,15-19H2/p+1