2-[(2-methylquinolin-4-yl)amino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[(2-methylquinolin-4-yl)amino]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[(2-methyl-4-quinolyl)amino]pyridin-1-ium-3-carbonitrile CAS Name: 2-[(2-methyl-4-quinolinyl)amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[(2-methylquinolin-4-yl)amino]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[(2-methyl-4-quinolyl)amino]pyridin-1-ium-3-carbonitrile Formula: C16H13N4+ MolecularWeight: 261.30122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C16H12N4/c1-11-9-15(13-6-2-3-7-14(13)19-11)20-16-12(10-17)5-4-8-18-16/h2-9H,1H3,(H,18,19,20)/p+1