4-decoxy-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide

Systemtic Name: 4-decoxy-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: 4-decoxy-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: 4-decoxy-2-methoxy-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 4-decoxy-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: 4-decoxy-2-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C25H37IN2O3 MolecularWeight: 540.47735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3.HI/c1-4-5-6-7-8-9-10-11-17-30-22-14-15-23(24(18-22)29-3)25(28)26-19-21-13-12-16-27(2)20-21;/h12-16,18,20H,4-11,17,19H2,1-3H3;1H