2-(3,4-diheptoxyphenoxy)-N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide

Systemtic Name: 2-(3,4-diheptoxyphenoxy)-N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-acetyl-2-(3,4-diheptoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-acetyl-2-(3,4-diheptoxyphenoxy)-N-[(1-propyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-acetyl-2-(3,4-diheptoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-acetyl-2-(3,4-diheptoxyphenoxy)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C33H51IN2O5 MolecularWeight: 682.67291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H51N2O5.HI/c1-5-8-10-12-16-23-38-31-20-19-30(25-32(31)39-24-17-13-11-9-6-2)40-27-33(37)35(28(4)36)26-29-18-14-15-22-34(29)21-7-3;/h14-15,18-20,22,25H,5-13,16-17,21,23-24,26-27H2,1-4H3;1H/q+1;/p-1