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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3,5-dicarbonitrile Formula: C18H15N6+ MolecularWeight: 315.3519

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=[NH+]C(=C(C(=C3C#N)CC#N)C#N)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=[NH+]C(=C(C(=C3C#N)CC#N)C#N)N

InChI

InChI=1S/C18H14N6/c19-7-5-14-15(9-20)17(22)23-18(16(14)10-21)24-8-6-12-3-1-2-4-13(12)11-24/h1-4H,5-6,8,11H2,(H2,22,23)/p+1