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

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxy-N-(2-methoxyphenyl)carbonyl-benzamide iodide Openeye Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxy-N-(2-methoxybenzoyl)benzamide iodide CAS Name: N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-3,4-diheptoxy-N-[(2-methoxyphenyl)-oxomethyl]benzamide iodide IUPAC Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxy-N-(2-methoxybenzoyl)benzamide iodide Traditional Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3,4-diheptoxy-N-o-anisoyl-benzamide iodide Formula: C37H51IN2O5 MolecularWeight: 730.71571

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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=C3OC)OCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3OC)OCCCCCCC.[I-]

InChI

InChI=1S/C37H51N2O5.HI/c1-5-8-10-12-18-26-43-34-24-23-30(28-35(34)44-27-19-13-11-9-6-2)36(40)39(29-31-20-16-17-25-38(31)7-3)37(41)32-21-14-15-22-33(32)42-4;/h14-17,20-25,28H,5-13,18-19,26-27,29H2,1-4H3;1H/q+1;/p-1