dimethyl-[(2S)-1-oxidanylidene-3-phenyl-1-(1,2,5-trimethylpyrrol-3-yl)propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-oxidanylidene-3-phenyl-1-(1,2,5-trimethylpyrrol-3-yl)propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-oxo-3-phenyl-1-(1,2,5-trimethyl-3-pyrrolyl)propan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-oxo-3-phenyl-1-(1,2,5-trimethylpyrrol-3-yl)propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-dimethyl-ammonium Formula: C18H25N2O+ MolecularWeight: 285.4039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)C(CC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)[C@H](CC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C18H24N2O/c1-13-11-16(14(2)20(13)5)18(21)17(19(3)4)12-15-9-7-6-8-10-15/h6-11,17H,12H2,1-5H3/p+1/t17-/m0/s1