2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]ethanamide

Systemtic Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]ethanamide Openeye Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide CAS Name: 2-(3-tert-butyl-4-decoxyphenyl)-N-[(1-methyl-4-pyridin-1-iumyl)methyl]acetamide IUPAC Name: 2-(3-tert-butyl-4-decoxyphenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide Traditional Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide Formula: C29H45N2O2+ MolecularWeight: 453.6798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)C)C(C)(C)C

InChI

InChI=1S/C29H44N2O2/c1-6-7-8-9-10-11-12-13-20-33-27-15-14-25(21-26(27)29(2,3)4)22-28(32)30-23-24-16-18-31(5)19-17-24/h14-19,21H,6-13,20,22-23H2,1-5H3/p+1