O3-ethyl O6-methyl 4-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)quinolin-1-ium-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-methyl 4-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)quinolin-1-ium-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 4-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)quinolin-1-ium-3,6-dicarboxylate CAS Name: 4-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 4-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)quinolin-1-ium-3,6-dicarboxylate Traditional Name: 4-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)quinolin-1-ium-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N3CC4(CC3CC(C4)(C)C)C)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N3CC4(CC3CC(C4)(C)C)C)C(=O)OC

InChI

InChI=1S/C24H30N2O4/c1-6-30-22(28)18-12-25-19-8-7-15(21(27)29-5)9-17(19)20(18)26-14-24(4)11-16(26)10-23(2,3)13-24/h7-9,12,16H,6,10-11,13-14H2,1-5H3/p+1