[1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(4-methoxyphenyl)-5-methyl-4-pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(4-methoxyphenyl)-5-methyl-pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O2/c1-16-19(15-23-26(16)17-6-8-18(28-2)9-7-17)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