[5-bromanyl-2-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(1S)-2-(butylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [5-bromo-2-[(2S)-1-(butylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [5-bromo-2-[(1S)-2-(butylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C14H22BrN2O2+ MolecularWeight: 330.24068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O2/c1-3-4-7-17-14(18)10(2)19-13-6-5-12(15)8-11(13)9-16/h5-6,8,10H,3-4,7,9,16H2,1-2H3,(H,17,18)/p+1/t10-/m0/s1