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

Systemtic Name: [5-bromanyl-2-[(2S)-1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [5-bromo-2-[(1S)-2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [5-bromo-2-[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [5-bromo-2-[(1S)-2-(ethylcarbamoylamino)-2-keto-1-methyl-ethoxy]benzyl]ammonium Formula: C13H19BrN3O3+ MolecularWeight: 345.21226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O3/c1-3-16-13(19)17-12(18)8(2)20-11-5-4-10(14)6-9(11)7-15/h4-6,8H,3,7,15H2,1-2H3,(H2,16,17,18,19)/p+1/t8-/m0/s1