ethyl 3-(azepan-1-ium-1-ylmethyl)-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 3-(azepan-1-ium-1-ylmethyl)-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 3-(azepan-1-ium-1-ylmethyl)-4-oxo-1H-quinoline-2-carboxylate CAS Name: 3-(1-azepan-1-iumylmethyl)-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(azepan-1-ium-1-ylmethyl)-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC=CC=C2N1)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H24N2O3/c1-2-24-19(23)17-15(13-21-11-7-3-4-8-12-21)18(22)14-9-5-6-10-16(14)20-17/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,20,22)/p+1