N-ethanoyl-2-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide

Systemtic Name: N-ethanoyl-2-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: N-acetyl-2-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: N-acetyl-2-methyl-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: N-acetyl-2-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: N-acetyl-2-methyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C31H47IN2O3 MolecularWeight: 622.62095

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H47N2O3.HI/c1-5-6-7-8-9-10-11-12-13-14-15-18-23-36-29-20-21-30(26(2)24-29)31(35)33(27(3)34)25-28-19-16-17-22-32(28)4;/h16-17,19-22,24H,5-15,18,23,25H2,1-4H3;1H/q+1;/p-1