3-chloranyl-N-ethanoyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-4-tetradecoxy-benzamide iodide

Systemtic Name: 3-chloranyl-N-ethanoyl-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-4-tetradecoxy-benzamide iodide Openeye Name: N-acetyl-3-chloro-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-4-tetradecoxy-benzamide iodide CAS Name: N-acetyl-3-chloro-N-[3-(1-methyl-2-pyridin-1-iumyl)propyl]-4-tetradecoxybenzamide iodide IUPAC Name: N-acetyl-3-chloro-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-4-tetradecoxybenzamide iodide Traditional Name: N-acetyl-3-chloro-N-[3-(1-methylpyridin-1-ium-2-yl)propyl]-4-myristyloxy-benzamide iodide Formula: C32H48ClIN2O3 MolecularWeight: 671.09259

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2C)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2C)C(=O)C)Cl.[I-]

InChI

InChI=1S/C32H48ClN2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-17-25-38-31-22-21-28(26-30(31)33)32(37)35(27(2)36)24-18-20-29-19-15-16-23-34(29)3;/h15-16,19,21-23,26H,4-14,17-18,20,24-25H2,1-3H3;1H/q+1;/p-1