(4-dimethylaminophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-[(4-propan-2-ylphenyl)amino]propan-2-yl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(1S)-2-(4-isopropylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-dimethylaminophenyl)methyl-methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-methyl-[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-cumidino-2-keto-1-methyl-ethyl]-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)C(C)[NH+](C)CC2=CC=C(C=C2)N(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(C)C)[NH+](C)CC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C22H31N3O/c1-16(2)19-9-11-20(12-10-19)23-22(26)17(3)25(6)15-18-7-13-21(14-8-18)24(4)5/h7-14,16-17H,15H2,1-6H3,(H,23,26)/p+1/t17-/m0/s1