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

Systemtic Name: 3,4-diheptoxy-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Openeye Name: N-benzoyl-3,4-diheptoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-benzoyl-3,4-diheptoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-benzoyl-3,4-diheptoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-benzoyl-3,4-diheptoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Formula: C37H51N2O4+ MolecularWeight: 587.81184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)OCCCCCCC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CCC)C(=O)C3=CC=CC=C3)OCCCCCCC

InChI

InChI=1S/C37H51N2O4/c1-4-7-9-11-18-27-42-34-24-23-32(29-35(34)43-28-19-12-10-8-5-2)37(41)39(36(40)31-20-14-13-15-21-31)30-33-22-16-17-26-38(33)25-6-3/h13-17,20-24,26,29H,4-12,18-19,25,27-28,30H2,1-3H3/q+1