(3-ethoxy-4-oxidanyl-phenyl)methyl-[(2R)-5-methylhexan-2-yl]azanium

Systemtic Name: (3-ethoxy-4-oxidanyl-phenyl)methyl-[(2R)-5-methylhexan-2-yl]azanium Openeye Name: [(1R)-1,4-dimethylpentyl]-[(3-ethoxy-4-hydroxy-phenyl)methyl]ammonium CAS Name: (3-ethoxy-4-hydroxyphenyl)methyl-[(2R)-5-methylhexan-2-yl]ammonium IUPAC Name: (3-ethoxy-4-hydroxyphenyl)methyl-[(2R)-5-methylhexan-2-yl]azanium Traditional Name: [(1R)-1,4-dimethylpentyl]-(3-ethoxy-4-hydroxy-benzyl)ammonium Formula: C16H28NO2+ MolecularWeight: 266.39902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C(C)CCC(C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+][C@H](C)CCC(C)C)O

InChI

InChI=1S/C16H27NO2/c1-5-19-16-10-14(8-9-15(16)18)11-17-13(4)7-6-12(2)3/h8-10,12-13,17-18H,5-7,11H2,1-4H3/p+1/t13-/m1/s1