2-[4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]ethylazanium

Systemtic Name: 2-[4-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxyphenyl]ethylazanium Openeye Name: 2-[4-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethoxy]phenyl]ethylammonium CAS Name: 2-[4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]ethylammonium IUPAC Name: 2-[4-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]ethylazanium Traditional Name: 2-[4-[(1S)-2-(butylamino)-2-keto-1-methyl-ethoxy]phenyl]ethylammonium Formula: C15H25N2O2+ MolecularWeight: 265.3712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)OC1=CC=C(C=C1)CC[NH3+]

Isomeric SMILES

CCCCNC(=O)[C@H](C)OC1=CC=C(C=C1)CC[NH3+]

InChI

InChI=1S/C15H24N2O2/c1-3-4-11-17-15(18)12(2)19-14-7-5-13(6-8-14)9-10-16/h5-8,12H,3-4,9-11,16H2,1-2H3,(H,17,18)/p+1/t12-/m0/s1