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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C12H19BrNO3+ MolecularWeight: 305.18816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C12H18BrNO3/c1-3-9(7-15)14-6-8-4-10(13)12(16)11(5-8)17-2/h4-5,9,14-16H,3,6-7H2,1-2H3/p+1/t9-/m1/s1