(4-methoxycarbonylphenyl)methyl-dimethyl-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]azanium bromide

Systemtic Name: (4-methoxycarbonylphenyl)methyl-dimethyl-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]azanium bromide Openeye Name: (4-methoxycarbonylphenyl)methyl-dimethyl-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]ammonium bromide CAS Name: (4-methoxycarbonylphenyl)methyl-dimethyl-[(2,4,6-trimethyl-1-cyclohex-3-enyl)methyl]ammonium bromide IUPAC Name: (4-methoxycarbonylphenyl)methyl-dimethyl-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]azanium bromide Traditional Name: (4-carbomethoxybenzyl)-dimethyl-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]ammonium bromide Formula: C21H32BrNO2 MolecularWeight: 410.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=CC(C1C[N+](C)(C)CC2=CC=C(C=C2)C(=O)OC)C)C.[Br-]

Isomeric SMILES

CC1CC(=CC(C1C[N+](C)(C)CC2=CC=C(C=C2)C(=O)OC)C)C.[Br-]

InChI

InChI=1S/C21H32NO2.BrH/c1-15-11-16(2)20(17(3)12-15)14-22(4,5)13-18-7-9-19(10-8-18)21(23)24-6;/h7-11,16-17,20H,12-14H2,1-6H3;1H/q+1;/p-1