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

Systemtic Name: [4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxy-3,5-dimethyl-phenyl]methylazanium Openeye Name: [4-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethoxy]-3,5-dimethyl-phenyl]methylammonium CAS Name: [4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylphenyl]methylammonium IUPAC Name: [4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxy-3,5-dimethylphenyl]methylazanium Traditional Name: [4-[(1S)-2-(butylamino)-2-keto-1-methyl-ethoxy]-3,5-dimethyl-benzyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)OC1=C(C=C(C=C1C)C[NH3+])C

Isomeric SMILES

CCCCNC(=O)[C@H](C)OC1=C(C=C(C=C1C)C[NH3+])C

InChI

InChI=1S/C16H26N2O2/c1-5-6-7-18-16(19)13(4)20-15-11(2)8-14(10-17)9-12(15)3/h8-9,13H,5-7,10,17H2,1-4H3,(H,18,19)/p+1/t13-/m0/s1