[3-chloranyl-5-methoxy-4-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium

Systemtic Name: [3-chloranyl-5-methoxy-4-[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3-chloro-5-methoxy-4-[(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [3-chloro-5-methoxy-4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-chloro-5-methoxy-4-[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-chloro-4-[(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethoxy]-5-methoxy-benzyl]ammonium Formula: C13H19ClN3O4+ MolecularWeight: 316.76066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC1=C(C=C(C=C1Cl)C[NH3+])OC

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC)OC1=C(C=C(C=C1Cl)C[NH3+])OC

InChI

InChI=1S/C13H18ClN3O4/c1-7(12(18)17-13(19)16-2)21-11-9(14)4-8(6-15)5-10(11)20-3/h4-5,7H,6,15H2,1-3H3,(H2,16,17,18,19)/p+1/t7-/m0/s1