N-[(1-methylpyridin-1-ium-4-yl)methyl]-2-(3-tetradecoxyphenyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1)CC(=O)NCC2=CC=[N+](C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1)CC(=O)NCC2=CC=[N+](C=C2)C

InChI

InChI=1S/C29H44N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-33-28-17-15-16-27(23-28)24-29(32)30-25-26-18-20-31(2)21-19-26/h15-21,23H,3-14,22,24-25H2,1-2H3/p+1