ethyl 6,8-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate

Systemtic Name: ethyl 6,8-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate Openeye Name: ethyl 6,8-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate CAS Name: 6,8-dimethyl-4-[3-(4-morpholin-4-iumyl)propylamino]-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,8-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylate Traditional Name: 6,8-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinoline-3-carboxylic acid ethyl ester Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H29N3O3/c1-4-27-21(25)18-14-23-19-16(3)12-15(2)13-17(19)20(18)22-6-5-7-24-8-10-26-11-9-24/h12-14H,4-11H2,1-3H3,(H,22,23)/p+1