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

Systemtic Name: 2-chloranyl-N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 2-chloro-N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: 2-chloro-N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 2-chloro-N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 2-chloro-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-N-(4-lauryloxy-2-methyl-benzyl)benzamide Formula: C35H48ClN2O2+ MolecularWeight: 564.22082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C35H48ClN2O2/c1-4-6-7-8-9-10-11-12-13-16-24-40-32-22-21-31(29(3)25-32)28-38(27-30-18-17-23-37(5-2)26-30)35(39)33-19-14-15-20-34(33)36/h14-15,17-23,25-26H,4-13,16,24,27-28H2,1-3H3/q+1