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

Systemtic Name: 3-chloranyl-4-dodecoxy-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-acetyl-3-chloro-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-acetyl-3-chloro-4-dodecoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-acetyl-3-chloro-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-acetyl-3-chloro-4-lauryloxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C28H40ClIN2O3 MolecularWeight: 614.98627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40ClN2O3.HI/c1-4-5-6-7-8-9-10-11-12-15-20-34-27-18-17-24(21-26(27)29)28(33)31(23(2)32)22-25-16-13-14-19-30(25)3;/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3;1H/q+1;/p-1