[5-bromanyl-2-[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-[(2S)-1-(3-methoxypropylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(1S)-2-(3-methoxypropylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [5-bromo-2-[(2S)-1-(3-methoxypropylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [5-bromo-2-[(1S)-2-keto-2-(3-methoxypropylamino)-1-methyl-ethoxy]benzyl]ammonium Formula: C14H22BrN2O3+ MolecularWeight: 346.24008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21BrN2O3/c1-10(14(18)17-6-3-7-19-2)20-13-5-4-12(15)8-11(13)9-16/h4-5,8,10H,3,6-7,9,16H2,1-2H3,(H,17,18)/p+1/t10-/m0/s1