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

Systemtic Name: 3-chloranyl-4-decoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 3-chloro-4-decoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 3-chloro-4-decoxy-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 3-chloro-4-decoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: 3-chloro-4-decoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C24H34ClIN2O2 MolecularWeight: 544.89643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)C)Cl.[I-]

InChI

InChI=1S/C24H33ClN2O2.HI/c1-3-4-5-6-7-8-9-10-17-29-23-12-11-21(18-22(23)25)24(28)26-19-20-13-15-27(2)16-14-20;/h11-16,18H,3-10,17,19H2,1-2H3;1H