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

Systemtic Name: methyl-[(4-methylphenyl)methyl]-[(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl]azanium Openeye Name: [(1S)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl]-methyl-(p-tolylmethyl)ammonium CAS Name: methyl-[(4-methylphenyl)methyl]-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]ammonium IUPAC Name: methyl-[(4-methylphenyl)methyl]-[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl]azanium Traditional Name: [(1S)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl]-methyl-(4-methylbenzyl)ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)C(C)C(=O)NC2=CC=CC=C2C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)[C@@H](C)C(=O)NC2=CC=CC=C2C(C)C

InChI

InChI=1S/C21H28N2O/c1-15(2)19-8-6-7-9-20(19)22-21(24)17(4)23(5)14-18-12-10-16(3)11-13-18/h6-13,15,17H,14H2,1-5H3,(H,22,24)/p+1/t17-/m0/s1