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

Systemtic Name: [3-chloranyl-4-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]oxy-5-methoxy-phenyl]methylazanium Openeye Name: [3-chloro-4-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethoxy]-5-methoxy-phenyl]methylammonium CAS Name: [3-chloro-4-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]oxy-5-methoxyphenyl]methylammonium IUPAC Name: [3-chloro-4-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]oxy-5-methoxyphenyl]methylazanium Traditional Name: [3-chloro-4-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethoxy]-5-methoxy-benzyl]ammonium Formula: C13H20ClN2O3+ MolecularWeight: 287.7625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2O3/c1-4-16-13(17)8(2)19-12-10(14)5-9(7-15)6-11(12)18-3/h5-6,8H,4,7,15H2,1-3H3,(H,16,17)/p+1/t8-/m0/s1