ethyl 7,8-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7,8-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7,8-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate CAS Name: 7,8-dimethyl-4-[3-(4-morpholin-4-iumyl)propylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7,8-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Traditional Name: 7,8-dimethyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C21H31N3O3+2 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3/c1-4-27-21(25)18-14-23-19-16(3)15(2)6-7-17(19)20(18)22-8-5-9-24-10-12-26-13-11-24/h6-7,14H,4-5,8-13H2,1-3H3,(H,22,23)/p+2