3-(azepan-1-ium-1-ylmethyl)-6-ethyl-2-methyl-1H-quinolin-4-one

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-6-ethyl-2-methyl-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-6-ethyl-2-methyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-6-ethyl-2-methyl-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-6-ethyl-2-methyl-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-6-ethyl-2-methyl-4-quinolone Formula: C19H27N2O+ MolecularWeight: 299.43048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCCC3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCCC3)C

InChI

InChI=1S/C19H26N2O/c1-3-15-8-9-18-16(12-15)19(22)17(14(2)20-18)13-21-10-6-4-5-7-11-21/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,20,22)/p+1