4-dodecoxy-3-methoxy-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide

Systemtic Name: 4-dodecoxy-3-methoxy-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: N-benzoyl-4-dodecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-benzoyl-4-dodecoxy-3-methoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-benzoyl-4-dodecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-benzoyl-4-lauryloxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Formula: C36H49N2O4+ MolecularWeight: 573.78526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C36H49N2O4/c1-4-6-7-8-9-10-11-12-13-19-27-42-33-24-23-31(28-34(33)41-3)36(40)38(35(39)30-20-15-14-16-21-30)29-32-22-17-18-26-37(32)25-5-2/h14-18,20-24,26,28H,4-13,19,25,27,29H2,1-3H3/q+1