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

Systemtic Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Openeye Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine CAS Name: 1-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanimine IUPAC Name: 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine Traditional Name: (Z)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene-(4-pyridin-1-ium-2-ylpiperazino)amine Formula: C21H25N6+ MolecularWeight: 361.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6/c1-17-20(18(2)27(24-17)19-8-4-3-5-9-19)16-23-26-14-12-25(13-15-26)21-10-6-7-11-22-21/h3-11,16H,12-15H2,1-2H3/p+1/b23-16-