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

Systemtic Name: (3-bromanyl-4,5-diethoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (3-bromo-4,5-diethoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (3-bromo-4,5-diethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (3-bromo-4,5-diethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (3-bromo-4,5-diethoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C15H25BrNO3+ MolecularWeight: 347.2679

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24BrNO3/c1-4-12(10-18)17-9-11-7-13(16)15(20-6-3)14(8-11)19-5-2/h7-8,12,17-18H,4-6,9-10H2,1-3H3/p+1/t12-/m1/s1