[(2S)-3-(3-ethanoyl-2,4-dimethyl-pyrrol-1-yl)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: [(2S)-3-(3-ethanoyl-2,4-dimethyl-pyrrol-1-yl)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-(3-acetyl-2,4-dimethyl-pyrrol-1-yl)-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-(3-acetyl-2,4-dimethyl-1-pyrrolyl)-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-(3-acetyl-2,4-dimethylpyrrol-1-yl)-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-(3-acetyl-2,4-dimethyl-pyrrol-1-yl)-2-hydroxy-propyl]-methyl-ammonium Formula: C12H21N2O2+ MolecularWeight: 225.30734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C(=O)C)C)CC(C[NH2+]C)O

Isomeric SMILES

CC1=CN(C(=C1C(=O)C)C)C[C@H](C[NH2+]C)O

InChI

InChI=1S/C12H20N2O2/c1-8-6-14(7-11(16)5-13-4)9(2)12(8)10(3)15/h6,11,13,16H,5,7H2,1-4H3/p+1/t11-/m0/s1