(5-bromanylthiophen-2-yl)methyl-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(2S)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl]-[(5-bromo-2-thienyl)methyl]-methyl-ammonium CAS Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(5-bromo-2-thiophenyl)methyl]-methylammonium IUPAC Name: [(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]-[(5-bromothiophen-2-yl)methyl]-methylazanium Traditional Name: [(1S)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl]-[(5-bromo-2-thienyl)methyl]-methyl-ammonium Formula: C17H22BrN2O2S+ MolecularWeight: 398.33778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)[NH+](C)CC2=CC=C(S2)Br

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@H](C)[NH+](C)CC2=CC=C(S2)Br

InChI

InChI=1S/C17H21BrN2O2S/c1-9-15(12(4)21)10(2)19-16(9)17(22)11(3)20(5)8-13-6-7-14(18)23-13/h6-7,11,19H,8H2,1-5H3/p+1/t11-/m0/s1