4-bromanyl-N-(2,6-diethyl-4-methoxy-phenyl)-2,6-dimethyl-1-oxidanidyl-5-prop-2-enyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 4-bromanyl-N-(2,6-diethyl-4-methoxy-phenyl)-2,6-dimethyl-1-oxidanidyl-5-prop-2-enyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-allyl-4-bromo-N-(2,6-diethyl-4-methoxy-phenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 4-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2,6-dimethyl-1-oxido-5-prop-2-enyl-3-pyridin-1-iumcarboxamide IUPAC Name: 4-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2,6-dimethyl-1-oxido-5-prop-2-enylpyridin-1-ium-3-carboxamide Traditional Name: 5-allyl-4-bromo-N-(2,6-diethyl-4-methoxy-phenyl)-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H27BrN2O3 MolecularWeight: 447.36538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)CC=C)Br)CC)OC

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)CC=C)Br)CC)OC

InChI

InChI=1S/C22H27BrN2O3/c1-7-10-18-13(4)25(27)14(5)19(20(18)23)22(26)24-21-15(8-2)11-17(28-6)12-16(21)9-3/h7,11-12H,1,8-10H2,2-6H3,(H,24,26)