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

Systemtic Name: 4-decoxy-3-ethyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: 4-decoxy-3-ethyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: 4-decoxy-3-ethyl-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 4-decoxy-3-ethyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: 4-decoxy-3-ethyl-N-[(1-ethylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C27H41IN2O2 MolecularWeight: 552.53111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2.HI/c1-4-7-8-9-10-11-12-13-19-31-26-17-16-25(20-24(26)5-2)27(30)28-21-23-15-14-18-29(6-3)22-23;/h14-18,20,22H,4-13,19,21H2,1-3H3;1H