O3-ethyl O6-methyl 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C21H29N3O5+2 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-3-29-21(26)17-14-23-18-6-5-15(20(25)27-2)13-16(18)19(17)22-7-4-8-24-9-11-28-12-10-24/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,22,23)/p+2