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

Systemtic Name: [3-chloranyl-5-methoxy-4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]oxy-phenyl]methylazanium Openeye Name: [3-chloro-5-methoxy-4-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [3-chloro-5-methoxy-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methylammonium IUPAC Name: [3-chloro-5-methoxy-4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]oxyphenyl]methylazanium Traditional Name: [3-chloro-4-[(1S)-2-keto-1-methyl-2-(methylamino)ethoxy]-5-methoxy-benzyl]ammonium Formula: C12H18ClN2O3+ MolecularWeight: 273.73592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2O3/c1-7(12(16)15-2)18-11-9(13)4-8(6-14)5-10(11)17-3/h4-5,7H,6,14H2,1-3H3,(H,15,16)/p+1/t7-/m0/s1