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

Systemtic Name: 5-(azepan-1-ium-1-ylidenemethylamino)-1-methyl-pyrazole-4-carbonitrile Openeye Name: 5-(azepan-1-ium-1-ylidenemethylamino)-1-methyl-pyrazole-4-carbonitrile CAS Name: 5-(1-azepan-1-iumylidenemethylamino)-1-methyl-4-pyrazolecarbonitrile IUPAC Name: 5-(azepan-1-ium-1-ylidenemethylamino)-1-methylpyrazole-4-carbonitrile Traditional Name: 5-(azepan-1-ium-1-ylidenemethylamino)-1-methyl-pyrazole-4-carbonitrile Formula: C12H18N5+ MolecularWeight: 232.30482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)NC=[N+]2CCCCCC2

Isomeric SMILES

CN1C(=C(C=N1)C#N)NC=[N+]2CCCCCC2

InChI

InChI=1S/C12H17N5/c1-16-12(11(8-13)9-15-16)14-10-17-6-4-2-3-5-7-17/h9-10H,2-7H2,1H3/p+1