2-azanyl-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-(diisobutylamino)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[bis(2-methylpropyl)amino]-4-(cyanomethyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-(diisobutylamino)pyridin-1-ium-3,5-dicarbonitrile Formula: C17H23N6+ MolecularWeight: 311.40472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1=C(C(=C(C(=[NH+]1)N)C#N)CC#N)C#N

Isomeric SMILES

CC(C)CN(CC(C)C)C1=C(C(=C(C(=[NH+]1)N)C#N)CC#N)C#N

InChI

InChI=1S/C17H22N6/c1-11(2)9-23(10-12(3)4)17-15(8-20)13(5-6-18)14(7-19)16(21)22-17/h11-12H,5,9-10H2,1-4H3,(H2,21,22)/p+1