ethyl 7,8-bis(chloranyl)-4-(2-propanoyloxyethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7,8-bis(chloranyl)-4-(2-propanoyloxyethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7,8-dichloro-4-(2-propanoyloxyethylamino)quinolin-1-ium-3-carboxylate CAS Name: 7,8-dichloro-4-[2-(1-oxopropoxy)ethylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7,8-dichloro-4-(2-propanoyloxyethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 7,8-dichloro-4-(2-propionyloxyethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C17H19Cl2N2O4+ MolecularWeight: 386.24976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCNC1=C2C=CC(=C(C2=[NH+]C=C1C(=O)OCC)Cl)Cl

Isomeric SMILES

CCC(=O)OCCNC1=C2C=CC(=C(C2=[NH+]C=C1C(=O)OCC)Cl)Cl

InChI

InChI=1S/C17H18Cl2N2O4/c1-3-13(22)25-8-7-20-15-10-5-6-12(18)14(19)16(10)21-9-11(15)17(23)24-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,20,21)/p+1