2-methoxy-4-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-methoxy-4-[(phenylmethyl)amino]pyridin-1-ium-3-carbonitrile Openeye Name: 4-(benzylamino)-2-methoxy-pyridin-1-ium-3-carbonitrile CAS Name: 2-methoxy-4-[(phenylmethyl)amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-(benzylamino)-2-methoxypyridin-1-ium-3-carbonitrile Traditional Name: 4-(benzylamino)-2-methoxy-pyridin-1-ium-3-carbonitrile Formula: C14H14N3O+ MolecularWeight: 240.28046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=[NH+]C=CC(=C1C#N)NCC2=CC=CC=C2

Isomeric SMILES

COC1=[NH+]C=CC(=C1C#N)NCC2=CC=CC=C2

InChI

InChI=1S/C14H13N3O/c1-18-14-12(9-15)13(7-8-16-14)17-10-11-5-3-2-4-6-11/h2-8H,10H2,1H3,(H,16,17)/p+1