[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CCOC2=CC=CC=C2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+](C)CCOC2=CC=CC=C2

InChI

InChI=1S/C20H26N2O2/c1-4-17-10-12-18(13-11-17)21-20(23)16(2)22(3)14-15-24-19-8-6-5-7-9-19/h5-13,16H,4,14-15H2,1-3H3,(H,21,23)/p+1/t16-/m0/s1