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

Systemtic Name: N-ethanoyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-3,4-diheptoxy-benzamide iodide Openeye Name: N-acetyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-3,4-diheptoxy-benzamide iodide CAS Name: N-acetyl-N-[3-(1-ethyl-2-pyridin-1-iumyl)propyl]-3,4-diheptoxybenzamide iodide IUPAC Name: N-acetyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-3,4-diheptoxybenzamide iodide Traditional Name: N-acetyl-N-[3-(1-ethylpyridin-1-ium-2-yl)propyl]-3,4-diheptoxy-benzamide iodide Formula: C33H51IN2O4 MolecularWeight: 666.67351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CC)C(=O)C)OCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CC)C(=O)C)OCCCCCCC.[I-]

InChI

InChI=1S/C33H51N2O4.HI/c1-5-8-10-12-16-25-38-31-22-21-29(27-32(31)39-26-17-13-11-9-6-2)33(37)35(28(4)36)24-18-20-30-19-14-15-23-34(30)7-3;/h14-15,19,21-23,27H,5-13,16-18,20,24-26H2,1-4H3;1H/q+1;/p-1