ethyl 4-(cyclohexylamino)-6-ethoxy-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 4-(cyclohexylamino)-6-ethoxy-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(cyclohexylamino)-6-ethoxy-quinolin-1-ium-3-carboxylate CAS Name: 4-(cyclohexylamino)-6-ethoxy-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclohexylamino)-6-ethoxyquinolin-1-ium-3-carboxylate Traditional Name: 4-(cyclohexylamino)-6-ethoxy-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NC3CCCCC3

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NC3CCCCC3

InChI

InChI=1S/C20H26N2O3/c1-3-24-15-10-11-18-16(12-15)19(22-14-8-6-5-7-9-14)17(13-21-18)20(23)25-4-2/h10-14H,3-9H2,1-2H3,(H,21,22)/p+1