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

Systemtic Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-methylphenyl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-methylbenzoyl)amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-tert-butylphenyl)-2-[[(2-methylphenyl)-oxomethyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-tert-butylphenyl)-2-[(2-methylbenzoyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-tert-butylphenyl)-2-(o-toluoylamino)ethyl]-dimethyl-ammonium Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O/c1-16-9-7-8-10-19(16)21(25)23-15-20(24(5)6)17-11-13-18(14-12-17)22(2,3)4/h7-14,20H,15H2,1-6H3,(H,23,25)/p+1/t20-/m1/s1