dimethyl-[(2S)-1-(1-methylpyrrol-3-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-(1-methylpyrrol-3-yl)-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-(1-methylpyrrol-3-yl)-2-oxo-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-(1-methyl-3-pyrrolyl)-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-(1-methylpyrrol-3-yl)-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-keto-2-(1-methylpyrrol-3-yl)ethyl]-dimethyl-ammonium Formula: C16H21N2O+ MolecularWeight: 257.35074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)C(=O)C(CC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CN1C=CC(=C1)C(=O)[C@H](CC2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C16H20N2O/c1-17(2)15(11-13-7-5-4-6-8-13)16(19)14-9-10-18(3)12-14/h4-10,12,15H,11H2,1-3H3/p+1/t15-/m0/s1