(4-butoxy-3-chloranyl-5-ethoxy-phenyl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: (4-butoxy-3-chloranyl-5-ethoxy-phenyl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: (4-butoxy-3-chloro-5-ethoxy-phenyl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: (4-butoxy-3-chloro-5-ethoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: (4-butoxy-3-chloro-5-ethoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: (4-butoxy-3-chloro-5-ethoxy-benzyl)-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C17H29ClNO3+ MolecularWeight: 330.87006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C[NH2+]C(C)(C)CO)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C[NH2+]C(C)(C)CO)OCC

InChI

InChI=1S/C17H28ClNO3/c1-5-7-8-22-16-14(18)9-13(10-15(16)21-6-2)11-19-17(3,4)12-20/h9-10,19-20H,5-8,11-12H2,1-4H3/p+1