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

Systemtic Name: (2-bromanyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (2-bromo-5-ethoxy-4-prop-2-ynoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (2-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (2-bromo-5-ethoxy-4-propargyloxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C16H23BrNO3+ MolecularWeight: 357.26272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrNO3/c1-4-7-21-16-9-14(17)12(8-15(16)20-6-3)10-18-13(5-2)11-19/h1,8-9,13,18-19H,5-7,10-11H2,2-3H3/p+1/t13-/m1/s1