[3,5-dimethyl-4-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [3,5-dimethyl-4-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [4-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-phenyl]methylammonium CAS Name: [3,5-dimethyl-4-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3,5-dimethyl-4-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [4-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)C(=O)NCCC(C)C)C)C[NH3+]

Isomeric SMILES

CC1=CC(=CC(=C1O[C@@H](C)C(=O)NCCC(C)C)C)C[NH3+]

InChI

InChI=1S/C17H28N2O2/c1-11(2)6-7-19-17(20)14(5)21-16-12(3)8-15(10-18)9-13(16)4/h8-9,11,14H,6-7,10,18H2,1-5H3,(H,19,20)/p+1/t14-/m0/s1