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

Systemtic Name: 5-(azepan-1-ium-1-ylidenemethylamino)-1-(4-methylphenyl)pyrazole-4-carbonitrile Openeye Name: 5-(azepan-1-ium-1-ylidenemethylamino)-1-(p-tolyl)pyrazole-4-carbonitrile CAS Name: 5-(1-azepan-1-iumylidenemethylamino)-1-(4-methylphenyl)-4-pyrazolecarbonitrile IUPAC Name: 5-(azepan-1-ium-1-ylidenemethylamino)-1-(4-methylphenyl)pyrazole-4-carbonitrile Traditional Name: 5-(azepan-1-ium-1-ylidenemethylamino)-1-(p-tolyl)pyrazole-4-carbonitrile Formula: C18H22N5+ MolecularWeight: 308.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)NC=[N+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C#N)NC=[N+]3CCCCCC3

InChI

InChI=1S/C18H21N5/c1-15-6-8-17(9-7-15)23-18(16(12-19)13-21-23)20-14-22-10-4-2-3-5-11-22/h6-9,13-14H,2-5,10-11H2,1H3/p+1