(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[(2R)-2-oxidanylpropyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[(2R)-2-oxidanylpropyl]azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-[(2R)-2-hydroxypropyl]ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[(2R)-2-hydroxypropyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[(2R)-2-hydroxypropyl]azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-[(2R)-2-hydroxypropyl]ammonium Formula: C14H21BrNO3+ MolecularWeight: 331.22544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20BrNO3/c1-4-5-19-14-12(15)6-11(7-13(14)18-3)9-16-8-10(2)17/h4,6-7,10,16-17H,1,5,8-9H2,2-3H3/p+1/t10-/m1/s1