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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-[(5-bromo-2-thienyl)methyl]-methyl-ammonium CAS Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-[(5-bromo-2-thiophenyl)methyl]-methylammonium IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-[(5-bromothiophen-2-yl)methyl]-methylazanium Traditional Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]-[(5-bromo-2-thienyl)methyl]-methyl-ammonium Formula: C16H20BrN2O2S+ MolecularWeight: 384.3112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O2S/c1-9-15(11(3)20)10(2)18-16(9)13(21)8-19(4)7-12-5-6-14(17)22-12/h5-6,18H,7-8H2,1-4H3/p+1