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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

InChI

InChI=1S/C25H36N2O3.HI/c1-4-5-6-7-8-9-10-13-18-30-23-16-15-21(19-24(23)29-3)25(28)26-20-22-14-11-12-17-27(22)2;/h11-12,14-17,19H,4-10,13,18,20H2,1-3H3;1H