[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH2+]CC(C)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH2+]C[C@H](C)O

InChI

InChI=1S/C13H20N2O3/c1-9-4-5-12(18-3)11(6-9)15-13(17)8-14-7-10(2)16/h4-6,10,14,16H,7-8H2,1-3H3,(H,15,17)/p+1/t10-/m0/s1