2-(azepan-1-yl)quinolin-1-ium-4-carbonitrile

Systemtic Name: 2-(azepan-1-yl)quinolin-1-ium-4-carbonitrile Openeye Name: 2-(azepan-1-yl)quinolin-1-ium-4-carbonitrile CAS Name: 2-(1-azepanyl)-4-quinolin-1-iumcarbonitrile IUPAC Name: 2-(azepan-1-yl)quinolin-1-ium-4-carbonitrile Traditional Name: 2-(azepan-1-yl)quinolin-1-ium-4-carbonitrile Formula: C16H18N3+ MolecularWeight: 252.33422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3/c17-12-13-11-16(19-9-5-1-2-6-10-19)18-15-8-4-3-7-14(13)15/h3-4,7-8,11H,1-2,5-6,9-10H2/p+1