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

Systemtic Name: [1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(4-chlorophenyl)-5-methyl-4-pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(4-chlorophenyl)-5-methyl-pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C20H21ClN5O+ MolecularWeight: 382.86664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN5O/c1-15-18(14-23-26(15)17-7-5-16(21)6-8-17)20(27)25-12-10-24(11-13-25)19-4-2-3-9-22-19/h2-9,14H,10-13H2,1H3/p+1