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

Systemtic Name: ethyl 4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate CAS Name: 4-[2-(4-morpholin-4-iumyl)ethylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylate Traditional Name: 4-(2-morpholin-4-ium-4-ylethylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C18H25N3O3+2 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-2-24-18(22)15-13-20-16-6-4-3-5-14(16)17(15)19-7-8-21-9-11-23-12-10-21/h3-6,13H,2,7-12H2,1H3,(H,19,20)/p+2