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

Systemtic Name: 5-bromanyl-N-(2,6-diethylphenyl)-2,6-dimethyl-4-(3-methylbutoxy)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-bromo-N-(2,6-diethylphenyl)-4-isopentyloxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 5-bromo-N-(2,6-diethylphenyl)-2,6-dimethyl-4-(3-methylbutoxy)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 5-bromo-N-(2,6-diethylphenyl)-2,6-dimethyl-4-(3-methylbutoxy)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 5-bromo-N-(2,6-diethylphenyl)-4-isoamoxy-2,6-dimethyl-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H31BrN2O3 MolecularWeight: 463.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)Br)OCCC(C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(C(=C([N+](=C2C)[O-])C)Br)OCCC(C)C

InChI

InChI=1S/C23H31BrN2O3/c1-7-17-10-9-11-18(8-2)21(17)25-23(27)19-15(5)26(28)16(6)20(24)22(19)29-13-12-14(3)4/h9-11,14H,7-8,12-13H2,1-6H3,(H,25,27)