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

Systemtic Name: 2-chloranyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]-3-tetradecoxy-benzamide iodide Openeye Name: 2-chloro-N-[(1-methylpyridin-1-ium-3-yl)methyl]-3-tetradecoxy-benzamide iodide CAS Name: 2-chloro-N-[(1-methyl-3-pyridin-1-iumyl)methyl]-3-tetradecoxybenzamide iodide IUPAC Name: 2-chloro-N-[(1-methylpyridin-1-ium-3-yl)methyl]-3-tetradecoxybenzamide iodide Traditional Name: 2-chloro-N-[(1-methylpyridin-1-ium-3-yl)methyl]-3-myristyloxy-benzamide iodide Formula: C28H42ClIN2O2 MolecularWeight: 601.00275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1Cl)C(=O)NCC2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1Cl)C(=O)NCC2=C[N+](=CC=C2)C.[I-]

InChI

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