N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-6-methyl-1-oxidanidyl-4-propoxy-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-6-methyl-1-oxidanidyl-4-propoxy-pyridin-1-ium-3-carboxamide Openeye Name: N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-6-methyl-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide CAS Name: N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-6-methyl-1-oxido-4-propoxy-3-pyridin-1-iumcarboxamide IUPAC Name: N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-6-methyl-1-oxido-4-propoxypyridin-1-ium-3-carboxamide Traditional Name: N-(2,6-diethylphenyl)-2-(4-methoxyphenyl)-6-methyl-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=CC=C2CC)CC)C3=CC=C(C=C3)OC)[O-])C

Isomeric SMILES

CCCOC1=CC(=[N+](C(=C1C(=O)NC2=C(C=CC=C2CC)CC)C3=CC=C(C=C3)OC)[O-])C

InChI

InChI=1S/C27H32N2O4/c1-6-16-33-23-17-18(4)29(31)26(21-12-14-22(32-5)15-13-21)24(23)27(30)28-25-19(7-2)10-9-11-20(25)8-3/h9-15,17H,6-8,16H2,1-5H3,(H,28,30)