2-azanyl-6-(azepan-1-yl)-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(azepan-1-yl)-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(azepan-1-yl)-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(1-azepanyl)-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(azepan-1-yl)-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(azepan-1-yl)-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C15H17N6+ MolecularWeight: 281.33568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

Isomeric SMILES

C1CCCN(CC1)C2=[NH+]C(=C(C(=C2C#N)CC#N)C#N)N

InChI

InChI=1S/C15H16N6/c16-6-5-11-12(9-17)14(19)20-15(13(11)10-18)21-7-3-1-2-4-8-21/h1-5,7-8H2,(H2,19,20)/p+1