[2-(cyclohexylamino)pyridin-1-ium-1-yl]-(5-methyl-1-phenyl-pyrazol-4-yl)methanone

Systemtic Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(5-methyl-1-phenyl-pyrazol-4-yl)methanone Openeye Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(5-methyl-1-phenyl-pyrazol-4-yl)methanone CAS Name: [2-(cyclohexylamino)-1-pyridin-1-iumyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone IUPAC Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone Traditional Name: [2-(cyclohexylamino)pyridin-1-ium-1-yl]-(5-methyl-1-phenyl-pyrazol-4-yl)methanone Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)[N+]3=CC=CC=C3NC4CCCCC4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)[N+]3=CC=CC=C3NC4CCCCC4

InChI

InChI=1S/C22H24N4O/c1-17-20(16-23-26(17)19-12-6-3-7-13-19)22(27)25-15-9-8-14-21(25)24-18-10-4-2-5-11-18/h3,6-9,12-16,18H,2,4-5,10-11H2,1H3/p+1