1-adamantylmethyl-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-dimethyl-azanium bromide

Systemtic Name: 1-adamantylmethyl-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-dimethyl-azanium bromide Openeye Name: 1-adamantylmethyl-[2-(4-chlorophenyl)-2-oxo-ethyl]-dimethyl-ammonium bromide CAS Name: 1-adamantylmethyl-[2-(4-chlorophenyl)-2-oxoethyl]-dimethylammonium bromide IUPAC Name: 1-adamantylmethyl-[2-(4-chlorophenyl)-2-oxoethyl]-dimethylazanium bromide Traditional Name: 1-adamantylmethyl-[2-(4-chlorophenyl)-2-keto-ethyl]-dimethyl-ammonium bromide Formula: C21H29BrClNO MolecularWeight: 426.81806

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(=O)C1=CC=C(C=C1)Cl)CC23CC4CC(C2)CC(C4)C3.[Br-]

Isomeric SMILES

C[N+](C)(CC(=O)C1=CC=C(C=C1)Cl)CC23CC4CC(C2)CC(C4)C3.[Br-]

InChI

InChI=1S/C21H29ClNO.BrH/c1-23(2,13-20(24)18-3-5-19(22)6-4-18)14-21-10-15-7-16(11-21)9-17(8-15)12-21;/h3-6,15-17H,7-14H2,1-2H3;1H/q+1;/p-1