5-bromanyl-1-butyl-N-(2,6-dimethylphenyl)-4-oxidanylidene-1-prop-2-ynyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 5-bromanyl-1-butyl-N-(2,6-dimethylphenyl)-4-oxidanylidene-1-prop-2-ynyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-bromo-1-butyl-N-(2,6-dimethylphenyl)-4-oxo-1-prop-2-ynyl-pyridin-1-ium-3-carboxamide CAS Name: 5-bromo-1-butyl-N-(2,6-dimethylphenyl)-4-oxo-1-prop-2-ynyl-3-pyridin-1-iumcarboxamide IUPAC Name: 5-bromo-1-butyl-N-(2,6-dimethylphenyl)-4-oxo-1-prop-2-ynylpyridin-1-ium-3-carboxamide Traditional Name: 5-bromo-1-butyl-N-(2,6-dimethylphenyl)-4-keto-1-propargyl-pyridin-1-ium-3-carboxamide Formula: C21H24BrN2O2+ MolecularWeight: 416.33146

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C=C(C(=O)C(=C1)Br)C(=O)NC2=C(C=CC=C2C)C)CC#C

Isomeric SMILES

CCCC[N+]1(C=C(C(=O)C(=C1)Br)C(=O)NC2=C(C=CC=C2C)C)CC#C

InChI

InChI=1S/C21H23BrN2O2/c1-5-7-12-24(11-6-2)13-17(20(25)18(22)14-24)21(26)23-19-15(3)9-8-10-16(19)4/h2,8-10,13-14H,5,7,11-12H2,1,3-4H3/p+1