(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(thiophen-2-ylmethyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(2-thienylmethyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(thiophen-2-ylmethyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(2-thenyl)ammonium Formula: C13H15BrNO2S+ MolecularWeight: 329.2327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CS2)Br)O

InChI

InChI=1S/C13H14BrNO2S/c1-17-12-6-9(5-11(14)13(12)16)7-15-8-10-3-2-4-18-10/h2-6,15-16H,7-8H2,1H3/p+1