N-(4-dodecoxy-2-methyl-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: N-(4-dodecoxy-2-methyl-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: N-(4-dodecoxy-2-methyl-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: N-(4-dodecoxy-2-methylphenyl)-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-(4-dodecoxy-2-methylphenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(4-lauryloxy-2-methyl-phenyl)acetamide Formula: C29H45N2O2+ MolecularWeight: 453.6798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)N(CC2=C[N+](=CC=C2)CC)C(=O)C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)N(CC2=C[N+](=CC=C2)CC)C(=O)C)C

InChI

InChI=1S/C29H45N2O2/c1-5-7-8-9-10-11-12-13-14-15-21-33-28-18-19-29(25(3)22-28)31(26(4)32)24-27-17-16-20-30(6-2)23-27/h16-20,22-23H,5-15,21,24H2,1-4H3/q+1