N-(4-bromanyl-2,6-diethyl-phenyl)-2,6-dimethyl-4-(3-methylbutoxy)-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(4-bromanyl-2,6-diethyl-phenyl)-2,6-dimethyl-4-(3-methylbutoxy)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(4-bromo-2,6-diethyl-phenyl)-4-isopentyloxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(3-methylbutoxy)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-bromo-2,6-diethylphenyl)-2,6-dimethyl-4-(3-methylbutoxy)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-(4-bromo-2,6-diethyl-phenyl)-4-isoamoxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H31BrN2O3 MolecularWeight: 463.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)C2=C([N+](=C(C=C2OCCC(C)C)C)[O-])C)CC)Br

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)C2=C([N+](=C(C=C2OCCC(C)C)C)[O-])C)CC)Br

InChI

InChI=1S/C23H31BrN2O3/c1-7-17-12-19(24)13-18(8-2)22(17)25-23(27)21-16(6)26(28)15(5)11-20(21)29-10-9-14(3)4/h11-14H,7-10H2,1-6H3,(H,25,27)