[(1S)-1-(4-dimethylaminophenyl)-2-[(2-methylphenyl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(2-methylphenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(2-methylbenzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-dimethylaminophenyl)-2-[[(2-methylphenyl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-dimethylaminophenyl)-2-[(2-methylbenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-dimethylaminophenyl)-2-(o-toluoylamino)ethyl]-dimethyl-ammonium Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCC(C2=CC=C(C=C2)N(C)C)[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC[C@H](C2=CC=C(C=C2)N(C)C)[NH+](C)C

InChI

InChI=1S/C20H27N3O/c1-15-8-6-7-9-18(15)20(24)21-14-19(23(4)5)16-10-12-17(13-11-16)22(2)3/h6-13,19H,14H2,1-5H3,(H,21,24)/p+1/t19-/m1/s1