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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH2+]CCCO)Br)OCC=C

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH2+]CCCO)Br)OCC=C

InChI

InChI=1S/C14H20BrNO3/c1-3-7-19-14-9-12(15)11(8-13(14)18-2)10-16-5-4-6-17/h3,8-9,16-17H,1,4-7,10H2,2H3/p+1