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

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (3-bromo-5-methoxy-4-propargyloxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C15H21BrNO3+ MolecularWeight: 343.23614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrNO3/c1-4-6-20-15-13(16)7-11(8-14(15)19-3)9-17-12(5-2)10-18/h1,7-8,12,17-18H,5-6,9-10H2,2-3H3/p+1/t12-/m1/s1