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

Systemtic Name: 3,4-diheptoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)benzamide iodide Openeye Name: N-benzoyl-3,4-diheptoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-benzoyl-3,4-diheptoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-benzoyl-3,4-diheptoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-benzoyl-3,4-diheptoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C35H47IN2O4 MolecularWeight: 686.66315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H47N2O4.HI/c1-4-6-8-10-17-25-40-32-23-22-30(27-33(32)41-26-18-11-9-7-5-2)35(39)37(28-31-21-15-16-24-36(31)3)34(38)29-19-13-12-14-20-29;/h12-16,19-24,27H,4-11,17-18,25-26,28H2,1-3H3;1H/q+1;/p-1