N-ethanoyl-2-methyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-3-tetradecoxy-benzamide iodide

Systemtic Name: N-ethanoyl-2-methyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-3-tetradecoxy-benzamide iodide Openeye Name: N-acetyl-2-methyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-3-tetradecoxy-benzamide iodide CAS Name: N-acetyl-2-methyl-N-[3-(1-methyl-2-pyridin-1-iumyl)propyl]-3-tetradecoxybenzamide iodide IUPAC Name: N-acetyl-2-methyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-3-tetradecoxybenzamide iodide Traditional Name: N-acetyl-2-methyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-3-myristyloxy-benzamide iodide Formula: C33H51IN2O3 MolecularWeight: 650.67411

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)C(=O)N(CCCC2=CC=CC=[N+]2C)C(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)C(=O)N(CCCC2=CC=CC=[N+]2C)C(=O)C.[I-]

InChI

InChI=1S/C33H51N2O3.HI/c1-5-6-7-8-9-10-11-12-13-14-15-18-27-38-32-24-19-23-31(28(32)2)33(37)35(29(3)36)26-20-22-30-21-16-17-25-34(30)4;/h16-17,19,21,23-25H,5-15,18,20,22,26-27H2,1-4H3;1H/q+1;/p-1