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

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-2-oxo-ethyl]-methyl-(o-tolylmethyl)ammonium CAS Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl]-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl]-methyl-(2-methylbenzyl)ammonium Formula: C20H27N2O+ MolecularWeight: 311.44118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC=CC=C2C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+](C)CC2=CC=CC=C2C

InChI

InChI=1S/C20H26N2O/c1-5-17-10-12-19(13-11-17)21-20(23)16(3)22(4)14-18-9-7-6-8-15(18)2/h6-13,16H,5,14H2,1-4H3,(H,21,23)/p+1/t16-/m0/s1