1-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine

Systemtic Name: 1-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (Z)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylene-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C20H22ClN6+ MolecularWeight: 381.88188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2CCN(CC2)C3=CC=CC=[NH+]3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N\N2CCN(CC2)C3=CC=CC=[NH+]3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H21ClN6/c1-16-18(20(21)27(24-16)17-7-3-2-4-8-17)15-23-26-13-11-25(12-14-26)19-9-5-6-10-22-19/h2-10,15H,11-14H2,1H3/p+1/b23-15-