[(2S)-2-(dimethylamino)-3-methyl-butyl]-[(3-ethoxy-2-oxidanyl-phenyl)methyl]azanium

Systemtic Name: [(2S)-2-(dimethylamino)-3-methyl-butyl]-[(3-ethoxy-2-oxidanyl-phenyl)methyl]azanium Openeye Name: [(2S)-2-(dimethylamino)-3-methyl-butyl]-[(3-ethoxy-2-hydroxy-phenyl)methyl]ammonium CAS Name: [(2S)-2-(dimethylamino)-3-methylbutyl]-[(3-ethoxy-2-hydroxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-(dimethylamino)-3-methylbutyl]-[(3-ethoxy-2-hydroxyphenyl)methyl]azanium Traditional Name: [(2S)-2-(dimethylamino)-3-methyl-butyl]-(3-ethoxy-2-hydroxy-benzyl)ammonium Formula: C16H29N2O2+ MolecularWeight: 281.41366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH2+]CC(C(C)C)N(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH2+]C[C@H](C(C)C)N(C)C

InChI

InChI=1S/C16H28N2O2/c1-6-20-15-9-7-8-13(16(15)19)10-17-11-14(12(2)3)18(4)5/h7-9,12,14,17,19H,6,10-11H2,1-5H3/p+1/t14-/m1/s1