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

Systemtic Name: 4-decoxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: 4-decoxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: 4-decoxy-3-methoxy-N-[(1-propyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 4-decoxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: 4-decoxy-3-methoxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C27H41IN2O3 MolecularWeight: 568.53051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3.HI/c1-4-6-7-8-9-10-11-14-20-32-25-17-16-23(21-26(25)31-3)27(30)28-22-24-15-12-13-19-29(24)18-5-2;/h12-13,15-17,19,21H,4-11,14,18,20,22H2,1-3H3;1H