2-(4-ethanoyl-1,4-diazepan-1-yl)-5,7-dimethyl-quinolin-1-ium-3-carbonitrile

Systemtic Name: 2-(4-ethanoyl-1,4-diazepan-1-yl)-5,7-dimethyl-quinolin-1-ium-3-carbonitrile Openeye Name: 2-(4-acetyl-1,4-diazepan-1-yl)-5,7-dimethyl-quinolin-1-ium-3-carbonitrile CAS Name: 2-(4-acetyl-1,4-diazepan-1-yl)-5,7-dimethyl-3-quinolin-1-iumcarbonitrile IUPAC Name: 2-(4-acetyl-1,4-diazepan-1-yl)-5,7-dimethylquinolin-1-ium-3-carbonitrile Traditional Name: 2-(4-acetyl-1,4-diazepan-1-yl)-5,7-dimethyl-quinolin-1-ium-3-carbonitrile Formula: C19H23N4O+ MolecularWeight: 323.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)N3CCCN(CC3)C(=O)C)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)N3CCCN(CC3)C(=O)C)C#N)C

InChI

InChI=1S/C19H22N4O/c1-13-9-14(2)17-11-16(12-20)19(21-18(17)10-13)23-6-4-5-22(7-8-23)15(3)24/h9-11H,4-8H2,1-3H3/p+1