[4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-(3,5-dimethyl-1-pyrazolyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C21H23N5O/c1-16-15-17(2)26(23-16)19-8-6-18(7-9-19)21(27)25-13-11-24(12-14-25)20-5-3-4-10-22-20/h3-10,15H,11-14H2,1-2H3/p+1