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

Systemtic Name: N-(4-bromanyl-2,6-diethyl-phenyl)-6,6-dimethyl-1-oxidanidyl-2-phenyl-4-propoxy-1H-pyridin-1-ium-3-carboxamide Openeye Name: N-(4-bromo-2,6-diethyl-phenyl)-6,6-dimethyl-1-oxido-2-phenyl-4-propoxy-1H-pyridin-1-ium-3-carboxamide CAS Name: N-(4-bromo-2,6-diethylphenyl)-6,6-dimethyl-1-oxido-2-phenyl-4-propoxy-1H-pyridin-1-ium-3-carboxamide IUPAC Name: N-(4-bromo-2,6-diethylphenyl)-6,6-dimethyl-1-oxido-2-phenyl-4-propoxy-1H-pyridin-1-ium-3-carboxamide Traditional Name: N-(4-bromo-2,6-diethyl-phenyl)-6,6-dimethyl-1-oxido-2-phenyl-4-propoxy-1H-pyridin-1-ium-3-carboxamide Formula: C27H33BrN2O3 MolecularWeight: 513.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC([NH+](C(=C1C(=O)NC2=C(C=C(C=C2CC)Br)CC)C3=CC=CC=C3)[O-])(C)C

Isomeric SMILES

CCCOC1=CC([NH+](C(=C1C(=O)NC2=C(C=C(C=C2CC)Br)CC)C3=CC=CC=C3)[O-])(C)C

InChI

InChI=1S/C27H33BrN2O3/c1-6-14-33-22-17-27(4,5)30(32)25(20-12-10-9-11-13-20)23(22)26(31)29-24-18(7-2)15-21(28)16-19(24)8-3/h9-13,15-17,30H,6-8,14H2,1-5H3,(H,29,31)