N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-propyl-4-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide Traditional Name: N-(4-lauryloxy-2-methyl-benzyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]benzamide Formula: C36H51N2O2+ MolecularWeight: 543.80234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H51N2O2/c1-4-6-7-8-9-10-11-12-13-17-27-40-35-21-20-34(31(3)28-35)30-38(36(39)33-18-15-14-16-19-33)29-32-22-25-37(24-5-2)26-23-32/h14-16,18-23,25-26,28H,4-13,17,24,27,29-30H2,1-3H3/q+1