N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-2-methoxy-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide Formula: C39H57N2O3+ MolecularWeight: 601.88148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=[N+](C=C2)C)C(=O)C3=CC=CC=C3OC)C

InChI

InChI=1S/C39H57N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-44-36-24-23-35(33(2)30-36)32-41(31-34-25-27-40(3)28-26-34)39(42)37-21-18-19-22-38(37)43-4/h18-19,21-28,30H,5-17,20,29,31-32H2,1-4H3/q+1