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

Systemtic Name: N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methoxy-N-(phenylcarbonyl)-3-tetradecoxy-benzamide iodide Openeye Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methoxy-3-tetradecoxy-benzamide iodide CAS Name: N-benzoyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-methoxy-3-tetradecoxybenzamide iodide IUPAC Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methoxy-3-tetradecoxybenzamide iodide Traditional Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-methoxy-3-myristyloxy-benzamide iodide Formula: C37H51IN2O4 MolecularWeight: 714.71631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)OC.[I-]

InChI

InChI=1S/C37H51N2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-21-28-43-35-29-32(25-26-34(35)42-3)37(41)39(36(40)31-22-17-16-18-23-31)30-33-24-19-20-27-38(33)5-2;/h16-20,22-27,29H,4-15,21,28,30H2,1-3H3;1H/q+1;/p-1