(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) N-[2-(3-chlorophenyl)-6-methyl-phenyl]carbamate bromide

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) N-[2-(3-chlorophenyl)-6-methyl-phenyl]carbamate bromide Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) N-[2-(3-chlorophenyl)-6-methyl-phenyl]carbamate bromide CAS Name: N-[2-(3-chlorophenyl)-6-methylphenyl]carbamic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) N-[2-(3-chlorophenyl)-6-methylphenyl]carbamate bromide Traditional Name: N-[2-(3-chlorophenyl)-6-methyl-phenyl]carbamic acid (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester bromide Formula: C23H28BrClN2O2 MolecularWeight: 479.83762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NC(=O)OC2CC3CCC(C2)[N+]3(C)C)C4=CC(=CC=C4)Cl.[Br-]

Isomeric SMILES

CC1=CC=CC(=C1NC(=O)OC2CC3CCC(C2)[N+]3(C)C)C4=CC(=CC=C4)Cl.[Br-]

InChI

InChI=1S/C23H27ClN2O2.BrH/c1-15-6-4-9-21(16-7-5-8-17(24)12-16)22(15)25-23(27)28-20-13-18-10-11-19(14-20)26(18,2)3;/h4-9,12,18-20H,10-11,13-14H2,1-3H3;1H