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

Systemtic Name: 2-azanyl-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(cyanomethyl)-6-indolin-1-yl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(cyanomethyl)-6-(2,3-dihydroindol-1-yl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(cyanomethyl)-6-indolin-1-yl-pyridin-1-ium-3,5-dicarbonitrile Formula: C17H13N6+ MolecularWeight: 301.32532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=[NH+]C(=C(C(=C3C#N)CC#N)C#N)N

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=[NH+]C(=C(C(=C3C#N)CC#N)C#N)N

InChI

InChI=1S/C17H12N6/c18-7-5-12-13(9-19)16(21)22-17(14(12)10-20)23-8-6-11-3-1-2-4-15(11)23/h1-4H,5-6,8H2,(H2,21,22)/p+1