(2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: (2-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: (2-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: (2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: (2-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: (2-bromo-5-methoxy-4-propargyloxy-benzyl)-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C15H21BrNO3+ MolecularWeight: 343.23614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH2+]CC1=CC(=C(C=C1Br)OCC#C)OC

Isomeric SMILES

CC(C)(CO)[NH2+]CC1=CC(=C(C=C1Br)OCC#C)OC

InChI

InChI=1S/C15H20BrNO3/c1-5-6-20-14-8-12(16)11(7-13(14)19-4)9-17-15(2,3)10-18/h1,7-8,17-18H,6,9-10H2,2-4H3/p+1