2-[[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl]ammonio]ethyl-dimethyl-ammonium Formula: C20H29N3O+2 MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH2+]CC[NH+](C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC[NH+](C)C

InChI

InChI=1S/C20H27N3O/c1-15-10-11-16(2)18(14-15)22-20(24)19(21-12-13-23(3)4)17-8-6-5-7-9-17/h5-11,14,19,21H,12-13H2,1-4H3,(H,22,24)/p+2/t19-/m0/s1