(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C14H17BrNO2S+ MolecularWeight: 343.25928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH2+]CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

C[C@H](C1=CC=CS1)[NH2+]CC2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C14H16BrNO2S/c1-9(13-4-3-5-19-13)16-8-10-6-11(15)14(17)12(7-10)18-2/h3-7,9,16-17H,8H2,1-2H3/p+1/t9-/m1/s1