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

Systemtic Name: (2-bromanyl-4-butoxy-5-ethoxy-phenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (2-bromo-4-butoxy-5-ethoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (2-bromo-4-butoxy-5-ethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (2-bromo-4-butoxy-5-ethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (2-bromo-4-butoxy-5-ethoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C17H29BrNO3+ MolecularWeight: 375.32106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)Br)C[NH2+]C(CC)CO)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)Br)C[NH2+][C@H](CC)CO)OCC

InChI

InChI=1S/C17H28BrNO3/c1-4-7-8-22-17-10-15(18)13(9-16(17)21-6-3)11-19-14(5-2)12-20/h9-10,14,19-20H,4-8,11-12H2,1-3H3/p+1/t14-/m1/s1