[(2S)-1-[(3,4-diethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3,4-diethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(3,4-diethoxyanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(3,4-diethoxyanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-(3,4-diethoxyanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(3,4-diethoxyanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C(C)[NH3+])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)[C@H](C)[NH3+])OCC

InChI

InChI=1S/C13H20N2O3/c1-4-17-11-7-6-10(8-12(11)18-5-2)15-13(16)9(3)14/h6-9H,4-5,14H2,1-3H3,(H,15,16)/p+1/t9-/m0/s1