1-butyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxidanylidene-quinolin-1-ium-4-carboxylate

Systemtic Name: 1-butyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxidanylidene-quinolin-1-ium-4-carboxylate Openeye Name: 1-butyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-quinolin-1-ium-4-carboxylate CAS Name: 1-butyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-4-quinolin-1-iumcarboxylate IUPAC Name: 1-butyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxoquinolin-1-ium-4-carboxylate Traditional Name: 1-butyl-2-keto-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)quinolin-1-ium-4-carboxylate Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2=CC=CC=C2C(=CC1=O)C(=O)[O-])C3CC4CCC(C3)N4C

Isomeric SMILES

CCCC[N+]1(C2=CC=CC=C2C(=CC1=O)C(=O)[O-])C3CC4CCC(C3)N4C

InChI

InChI=1S/C22H28N2O3/c1-3-4-11-24(17-12-15-9-10-16(13-17)23(15)2)20-8-6-5-7-18(20)19(22(26)27)14-21(24)25/h5-8,14-17H,3-4,9-13H2,1-2H3