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

Systemtic Name: 2-chloranyl-4-decoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: 2-chloro-4-decoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: 2-chloro-4-decoxy-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 2-chloro-4-decoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: 2-chloro-4-decoxy-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C25H36ClIN2O2 MolecularWeight: 558.92301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35ClN2O2.HI/c1-3-5-6-7-8-9-10-11-17-30-22-14-15-23(24(26)18-22)25(29)27-19-21-13-12-16-28(4-2)20-21;/h12-16,18,20H,3-11,17,19H2,1-2H3;1H