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

Systemtic Name: 3-chloranyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: 3-chloro-N-[(1-methylpyridin-1-ium-3-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: 3-chloro-N-[(1-methyl-3-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: 3-chloro-N-[(1-methylpyridin-1-ium-3-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: 3-chloro-N-[(1-methylpyridin-1-ium-3-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C28H42ClIN2O2 MolecularWeight: 601.00275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)C)Cl.[I-]

InChI

InChI=1S/C28H41ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-33-27-18-17-25(21-26(27)29)28(32)30-22-24-16-15-19-31(2)23-24;/h15-19,21,23H,3-14,20,22H2,1-2H3;1H