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

Systemtic Name: ethyl 6-ethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-ethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-ethyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-ethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H29N3O3+2 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCC[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCC[NH+]3CCOCC3

InChI

InChI=1S/C20H27N3O3/c1-3-15-5-6-18-16(13-15)19(17(14-22-18)20(24)26-4-2)21-7-8-23-9-11-25-12-10-23/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22)/p+2