(1-phenylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: (1-phenylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: (1-phenylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: (1-phenyl-4-pyrazolyl)-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (1-phenylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: (1-phenylpyrazol-4-yl)-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C19H20N5O+ MolecularWeight: 334.395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O/c25-19(16-14-21-24(15-16)18-4-2-1-3-5-18)23-12-10-22(11-13-23)17-6-8-20-9-7-17/h1-9,14-15H,10-13H2/p+1