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

Systemtic Name: [3-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]oxy-4-methoxy-phenyl]methylazanium Openeye Name: [3-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethoxy]-4-methoxy-phenyl]methylammonium CAS Name: [3-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]oxy-4-methoxyphenyl]methylammonium IUPAC Name: [3-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]oxy-4-methoxyphenyl]methylazanium Traditional Name: [3-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethoxy]-4-methoxy-benzyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC1=C(C=CC(=C1)C[NH3+])OC

Isomeric SMILES

CCNC(=O)[C@H](C)OC1=C(C=CC(=C1)C[NH3+])OC

InChI

InChI=1S/C13H20N2O3/c1-4-15-13(16)9(2)18-12-7-10(8-14)5-6-11(12)17-3/h5-7,9H,4,8,14H2,1-3H3,(H,15,16)/p+1/t9-/m0/s1