(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-ethyl-(2-methylprop-2-enyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-ethyl-(2-methylprop-2-enyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-ethyl-(2-methylallyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-ethyl-(2-methylprop-2-enyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-ethyl-(2-methylprop-2-enyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-ethyl-(2-methylallyl)ammonium Formula: C14H21BrNO2+ MolecularWeight: 315.22604

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C(=C1)Br)O)OC)CC(=C)C

Isomeric SMILES

CC[NH+](CC1=CC(=C(C(=C1)Br)O)OC)CC(=C)C

InChI

InChI=1S/C14H20BrNO2/c1-5-16(8-10(2)3)9-11-6-12(15)14(17)13(7-11)18-4/h6-7,17H,2,5,8-9H2,1,3-4H3/p+1