3-(azepan-1-ium-1-ylmethyl)-5,8-dimethoxy-2-methyl-1H-quinolin-4-one

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-5,8-dimethoxy-2-methyl-1H-quinolin-4-one Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-5,8-dimethoxy-2-methyl-1H-quinolin-4-one CAS Name: 3-(1-azepan-1-iumylmethyl)-5,8-dimethoxy-2-methyl-1H-quinolin-4-one IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-5,8-dimethoxy-2-methyl-1H-quinolin-4-one Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-5,8-dimethoxy-2-methyl-4-quinolone Formula: C19H27N2O3+ MolecularWeight: 331.42928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(C=CC(=C2N1)OC)OC)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(C=CC(=C2N1)OC)OC)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H26N2O3/c1-13-14(12-21-10-6-4-5-7-11-21)19(22)17-15(23-2)8-9-16(24-3)18(17)20-13/h8-9H,4-7,10-12H2,1-3H3,(H,20,22)/p+1