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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3.HI/c1-4-6-7-8-9-10-11-12-20-32-24-13-14-25(26(21-24)31-3)27(30)28-22-23-15-18-29(17-5-2)19-16-23;/h13-16,18-19,21H,4-12,17,20,22H2,1-3H3;1H