5-(1-azanylazepan-1-ium-1-yl)pyridine-3-carbonitrile

Systemtic Name: 5-(1-azanylazepan-1-ium-1-yl)pyridine-3-carbonitrile Openeye Name: 5-(1-aminoazepan-1-ium-1-yl)pyridine-3-carbonitrile CAS Name: 5-(1-amino-1-azepan-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 5-(1-aminoazepan-1-ium-1-yl)pyridine-3-carbonitrile Traditional Name: 5-(1-aminoazepan-1-ium-1-yl)nicotinonitrile Formula: C12H17N4+ MolecularWeight: 217.29018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](CC1)(C2=CN=CC(=C2)C#N)N

Isomeric SMILES

C1CCC[N+](CC1)(C2=CN=CC(=C2)C#N)N

InChI

InChI=1S/C12H17N4/c13-8-11-7-12(10-15-9-11)16(14)5-3-1-2-4-6-16/h7,9-10H,1-6,14H2/q+1