(1,3-diphenylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (1,3-diphenylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (1,3-diphenylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (1,3-diphenyl-4-pyrazolyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (1,3-diphenylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (1,3-diphenylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C25H24N5O+ MolecularWeight: 410.49096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O/c31-25(29-17-15-28(16-18-29)21-11-13-26-14-12-21)23-19-30(22-9-5-2-6-10-22)27-24(23)20-7-3-1-4-8-20/h1-14,19H,15-18H2/p+1