[3-(2-chloranyl-6-methyl-phenyl)-4-phenyl-butyl]-methyl-azanium; sulfuric acid; hydrobromide

Systemtic Name: [3-(2-chloranyl-6-methyl-phenyl)-4-phenyl-butyl]-methyl-azanium; sulfuric acid; hydrobromide Openeye Name: [3-(2-chloro-6-methyl-phenyl)-4-phenyl-butyl]-methyl-ammonium; sulfuric acid; hydrobromide CAS Name: [3-(2-chloro-6-methylphenyl)-4-phenylbutyl]-methylammonium; sulfuric acid; hydrobromide IUPAC Name: [3-(2-chloro-6-methylphenyl)-4-phenylbutyl]-methylazanium; sulfuric acid; hydrobromide Traditional Name: [3-(2-chloro-6-methyl-phenyl)-4-phenyl-butyl]-methyl-ammonium; sulfuric acid; hydrobromide Formula: C18H26BrClNO4S+ MolecularWeight: 467.82534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)C(CC[NH2+]C)CC2=CC=CC=C2.OS(=O)(=O)O.Br

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)C(CC[NH2+]C)CC2=CC=CC=C2.OS(=O)(=O)O.Br

InChI

InChI=1S/C18H22ClN.BrH.H2O4S/c1-14-7-6-10-17(19)18(14)16(11-12-20-2)13-15-8-4-3-5-9-15;;1-5(2,3)4/h3-10,16,20H,11-13H2,1-2H3;1H;(H2,1,2,3,4)/p+1