ethyl 6,8-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6,8-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6,8-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate CAS Name: 6,8-dimethyl-4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,8-dimethyl-4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6,8-dimethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-4-26-20(24)17-13-22-18-15(3)11-14(2)12-16(18)19(17)21-5-6-23-7-9-25-10-8-23/h11-13H,4-10H2,1-3H3,(H,21,22)/p+2