3-(azepan-1-ium-1-ylmethyl)-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate CAS Name: 3-(1-azepan-1-iumylmethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-4-keto-2-methyl-1H-quinoline-6-carboxylate Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)[O-])C[NH+]3CCCCCC3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)[O-])C[NH+]3CCCCCC3

InChI

InChI=1S/C18H22N2O3/c1-12-15(11-20-8-4-2-3-5-9-20)17(21)14-10-13(18(22)23)6-7-16(14)19-12/h6-7,10H,2-5,8-9,11H2,1H3,(H,19,21)(H,22,23)