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

Systemtic Name: ethyl 6-chloranyl-8-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-chloro-8-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-8-methyl-4-[3-(4-morpholin-4-iumyl)propylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-8-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-chloro-8-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H28ClN3O3+2 MolecularWeight: 393.90762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O3/c1-3-27-20(25)17-13-23-18-14(2)11-15(21)12-16(18)19(17)22-5-4-6-24-7-9-26-10-8-24/h11-13H,3-10H2,1-2H3,(H,22,23)/p+2