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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(3-phenylpropyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(3-phenylpropyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-phenylpropyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(3-phenylpropyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(3-phenylpropyl)ammonium Formula: C17H21BrNO2+ MolecularWeight: 351.25814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCCC2=CC=CC=C2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCCC2=CC=CC=C2)Br)O

InChI

InChI=1S/C17H20BrNO2/c1-21-16-11-14(10-15(18)17(16)20)12-19-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,19-20H,5,8-9,12H2,1H3/p+1