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

Systemtic Name: N-(4-bromanyl-2,6-diethyl-phenyl)-4-butoxy-6-methyl-1-oxidanidyl-2-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: N-(4-bromo-2,6-diethyl-phenyl)-4-butoxy-6-methyl-1-oxido-2-phenyl-pyridin-1-ium-3-carboxamide CAS Name: N-(4-bromo-2,6-diethylphenyl)-4-butoxy-6-methyl-1-oxido-2-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-(4-bromo-2,6-diethylphenyl)-4-butoxy-6-methyl-1-oxido-2-phenylpyridin-1-ium-3-carboxamide Traditional Name: N-(4-bromo-2,6-diethyl-phenyl)-4-butoxy-6-methyl-1-oxido-2-phenyl-pyridin-1-ium-3-carboxamide Formula: C27H31BrN2O3 MolecularWeight: 511.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=C(C=C2CC)Br)CC)C3=CC=CC=C3)[O-])C

Isomeric SMILES

CCCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=C(C=C2CC)Br)CC)C3=CC=CC=C3)[O-])C

InChI

InChI=1S/C27H31BrN2O3/c1-5-8-14-33-23-15-18(4)30(32)26(21-12-10-9-11-13-21)24(23)27(31)29-25-19(6-2)16-22(28)17-20(25)7-3/h9-13,15-17H,5-8,14H2,1-4H3,(H,29,31)