3-(azepan-1-yl)benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile

Systemtic Name: 3-(azepan-1-yl)benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Openeye Name: 3-(azepan-1-yl)benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile CAS Name: 3-(1-azepanyl)-4-benzo[b][1,6]naphthyridin-2-iumcarbonitrile IUPAC Name: 3-(azepan-1-yl)benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Traditional Name: 3-(azepan-1-yl)benzo[b][1,6]naphthyridin-2-ium-4-carbonitrile Formula: C19H19N4+ MolecularWeight: 303.38096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NC4=CC=CC=C4C=C3C=[NH+]2)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NC4=CC=CC=C4C=C3C=[NH+]2)C#N

InChI

InChI=1S/C19H18N4/c20-12-16-18-15(11-14-7-3-4-8-17(14)22-18)13-21-19(16)23-9-5-1-2-6-10-23/h3-4,7-8,11,13H,1-2,5-6,9-10H2/p+1