2-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]benzamide

Systemtic Name: 2-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]benzamide Openeye Name: 2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(4-hexadecoxy-2-methyl-phenyl)methyl]benzamide CAS Name: 2-chloro-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-N-[(4-hexadecoxy-2-methylphenyl)methyl]benzamide IUPAC Name: 2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-[(4-hexadecoxy-2-methylphenyl)methyl]benzamide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Formula: C39H56ClN2O2+ MolecularWeight: 620.32714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C39H56ClN2O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-22-29-44-36-27-26-34(33(3)30-36)31-42(32-35-23-20-21-28-41(35)5-2)39(43)37-24-18-19-25-38(37)40/h18-21,23-28,30H,4-17,22,29,31-32H2,1-3H3/q+1