ethyl 6-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-methyl-4-[3-(4-morpholin-4-iumyl)propylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-methyl-4-(3-morpholin-4-ium-4-ylpropylamino)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[NH+]=C2C=CC(=CC2=C1NCCC[NH+]3CCOCC3)C

Isomeric SMILES

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

InChI

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