dimethyl-(5-oxidanyl-2-propan-2-yl-phenyl)-prop-2-enyl-azanium; N-methylcarbamate; hydrobromide

Systemtic Name: dimethyl-(5-oxidanyl-2-propan-2-yl-phenyl)-prop-2-enyl-azanium; N-methylcarbamate; hydrobromide Openeye Name: allyl-(5-hydroxy-2-isopropyl-phenyl)-dimethyl-ammonium; N-methylcarbamate; hydrobromide CAS Name: (5-hydroxy-2-propan-2-ylphenyl)-dimethyl-prop-2-enylammonium; N-methylcarbamate; hydrobromide IUPAC Name: (5-hydroxy-2-propan-2-ylphenyl)-dimethyl-prop-2-enylazanium; N-methylcarbamate; hydrobromide Traditional Name: allyl-(5-hydroxy-2-isopropyl-phenyl)-dimethyl-ammonium; N-methylcarbamate; hydrobromide Formula: C16H27BrN2O3 MolecularWeight: 375.30118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)O)[N+](C)(C)CC=C.CNC(=O)[O-].Br

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)O)[N+](C)(C)CC=C.CNC(=O)[O-].Br

InChI

InChI=1S/C14H21NO.C2H5NO2.BrH/c1-6-9-15(4,5)14-10-12(16)7-8-13(14)11(2)3;1-3-2(4)5;/h6-8,10-11H,1,9H2,2-5H3;3H,1H3,(H,4,5);1H