ethyl 6-chloranyl-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-chloro-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-8-methyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-chloro-8-methyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H26ClN3O3+2 MolecularWeight: 379.88104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H24ClN3O3/c1-3-26-19(24)16-12-22-17-13(2)10-14(20)11-15(17)18(16)21-4-5-23-6-8-25-9-7-23/h10-12H,3-9H2,1-2H3,(H,21,22)/p+2