[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(3-methoxyphenyl)methyl]-methyl-azanium

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(3-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]-[(3-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-[(3-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-m-anisyl-methyl-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)CC2=CC(=CC=C2)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C20H26N2O2/c1-5-16-9-11-18(12-10-16)21-20(23)15(2)22(3)14-17-7-6-8-19(13-17)24-4/h6-13,15H,5,14H2,1-4H3,(H,21,23)/p+1/t15-/m0/s1