1-(4-methylphenyl)-5-(morpholin-4-ium-4-ylidenemethylamino)pyrazole-4-carbonitrile

Systemtic Name: 1-(4-methylphenyl)-5-(morpholin-4-ium-4-ylidenemethylamino)pyrazole-4-carbonitrile Openeye Name: 5-(morpholin-4-ium-4-ylidenemethylamino)-1-(p-tolyl)pyrazole-4-carbonitrile CAS Name: 1-(4-methylphenyl)-5-(4-morpholin-4-iumylidenemethylamino)-4-pyrazolecarbonitrile IUPAC Name: 1-(4-methylphenyl)-5-(morpholin-4-ium-4-ylidenemethylamino)pyrazole-4-carbonitrile Traditional Name: 5-(morpholin-4-ium-4-ylidenemethylamino)-1-(p-tolyl)pyrazole-4-carbonitrile Formula: C16H18N5O+ MolecularWeight: 296.34702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)NC=[N+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)NC=[N+]3CCOCC3

InChI

InChI=1S/C16H17N5O/c1-13-2-4-15(5-3-13)21-16(14(10-17)11-19-21)18-12-20-6-8-22-9-7-20/h2-5,11-12H,6-9H2,1H3/p+1