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

Systemtic Name: 2-chloranyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: 2-chloro-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: 2-chloro-4-dodecoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 2-chloro-4-dodecoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: 2-chloro-4-lauryloxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C26H38ClIN2O2 MolecularWeight: 572.94959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)Cl.[I-]

InChI

InChI=1S/C26H37ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-14-19-31-23-16-17-24(25(27)20-23)26(30)28-21-22-15-12-13-18-29(22)2;/h12-13,15-18,20H,3-11,14,19,21H2,1-2H3;1H