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

Systemtic Name: 4-decoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-3-methoxy-benzamide iodide Openeye Name: 4-decoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-3-methoxy-benzamide iodide CAS Name: 4-decoxy-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]-3-methoxybenzamide iodide IUPAC Name: 4-decoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-3-methoxybenzamide iodide Traditional Name: 4-decoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]-3-methoxy-benzamide iodide Formula: C26H39IN2O3 MolecularWeight: 554.50393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3.HI/c1-4-6-7-8-9-10-11-12-18-31-24-16-15-23(19-25(24)30-3)26(29)27-20-22-14-13-17-28(5-2)21-22;/h13-17,19,21H,4-12,18,20H2,1-3H3;1H