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

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxy-N-(phenylcarbonyl)benzamide iodide Openeye Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxy-benzamide iodide CAS Name: N-benzoyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-3,4-diheptoxybenzamide iodide IUPAC Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxybenzamide iodide Traditional Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxy-benzamide iodide Formula: C36H49IN2O4 MolecularWeight: 700.68973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H49N2O4.HI/c1-4-7-9-11-18-26-41-33-24-23-31(28-34(33)42-27-19-12-10-8-5-2)36(40)38(35(39)30-20-14-13-15-21-30)29-32-22-16-17-25-37(32)6-3;/h13-17,20-25,28H,4-12,18-19,26-27,29H2,1-3H3;1H/q+1;/p-1