4-dodecoxy-N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-benzamide iodide

Systemtic Name: 4-dodecoxy-N-ethanoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-benzamide iodide Openeye Name: N-acetyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-benzamide iodide CAS Name: N-acetyl-4-dodecoxy-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-2-methylbenzamide iodide IUPAC Name: N-acetyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methylbenzamide iodide Traditional Name: N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-lauryloxy-2-methyl-benzamide iodide Formula: C30H45IN2O3 MolecularWeight: 608.59437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C)C.[I-]

InChI

InChI=1S/C30H45N2O3.HI/c1-5-7-8-9-10-11-12-13-14-17-22-35-28-19-20-29(25(3)23-28)30(34)32(26(4)33)24-27-18-15-16-21-31(27)6-2;/h15-16,18-21,23H,5-14,17,22,24H2,1-4H3;1H/q+1;/p-1