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

Systemtic Name: 2-(3-cyanophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-oxidanidyl-4-propoxy-pyridin-1-ium-3-carboxamide Openeye Name: 2-(3-cyanophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide CAS Name: 2-(3-cyanophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-oxido-4-propoxy-3-pyridin-1-iumcarboxamide IUPAC Name: 2-(3-cyanophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-oxido-4-propoxypyridin-1-ium-3-carboxamide Traditional Name: 2-(3-cyanophenyl)-N-(2,6-diethylphenyl)-6-methyl-1-oxido-4-propoxy-pyridin-1-ium-3-carboxamide Formula: C27H29N3O3 MolecularWeight: 443.53746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3/c1-5-14-33-23-15-18(4)30(32)26(22-13-8-10-19(16-22)17-28)24(23)27(31)29-25-20(6-2)11-9-12-21(25)7-3/h8-13,15-16H,5-7,14H2,1-4H3,(H,29,31)