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

Systemtic Name: 3,4-diheptoxy-N-(phenylcarbonyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-benzoyl-3,4-diheptoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-benzoyl-3,4-diheptoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-benzoyl-3,4-diheptoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-benzoyl-3,4-diheptoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C37H51IN2O4 MolecularWeight: 714.71631

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C37H51N2O4.HI/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;1H/q+1;/p-1