5-phenyl-2-(piperidin-1-ium-4-ylamino)pyridine-3-carbonitrile

Systemtic Name: 5-phenyl-2-(piperidin-1-ium-4-ylamino)pyridine-3-carbonitrile Openeye Name: 5-phenyl-2-(piperidin-1-ium-4-ylamino)pyridine-3-carbonitrile CAS Name: 5-phenyl-2-(4-piperidin-1-iumylamino)-3-pyridinecarbonitrile IUPAC Name: 5-phenyl-2-(piperidin-1-ium-4-ylamino)pyridine-3-carbonitrile Traditional Name: 5-phenyl-2-(piperidin-1-ium-4-ylamino)nicotinonitrile Formula: C17H19N4+ MolecularWeight: 279.35956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1NC2=NC=C(C=C2C#N)C3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCC1NC2=NC=C(C=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C17H18N4/c18-11-14-10-15(13-4-2-1-3-5-13)12-20-17(14)21-16-6-8-19-9-7-16/h1-5,10,12,16,19H,6-9H2,(H,20,21)/p+1