(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(cyclopropylmethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(cyclopropylmethyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(cyclopropylmethyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(cyclopropylmethyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(cyclopropylmethyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(cyclopropylmethyl)ammonium Formula: C12H17BrNO2+ MolecularWeight: 287.17288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2CC2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2CC2)Br)O

InChI

InChI=1S/C12H16BrNO2/c1-16-11-5-9(4-10(13)12(11)15)7-14-6-8-2-3-8/h4-5,8,14-15H,2-3,6-7H2,1H3/p+1