ethyl 7-chloranyl-8-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-8-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-chloro-8-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate CAS Name: 7-chloro-8-methyl-4-[3-(4-morpholin-4-iumyl)propylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-8-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Traditional Name: 7-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[NH+]=C2C(=C(C=CC2=C1NCCC[NH+]3CCOCC3)Cl)C

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NCCC[NH+]3CCOCC3)Cl)C

InChI

InChI=1S/C20H26ClN3O3/c1-3-27-20(25)16-13-23-18-14(2)17(21)6-5-15(18)19(16)22-7-4-8-24-9-11-26-12-10-24/h5-6,13H,3-4,7-12H2,1-2H3,(H,22,23)/p+2