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

Systemtic Name: 4-decoxy-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: 4-decoxy-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: 4-decoxy-2-methoxy-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 4-decoxy-2-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: 4-decoxy-2-methoxy-N-[(1-propylpyridin-1-ium-3-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=C[N+](=CC=C2)CCC)OC.[I-]

Isomeric SMILES

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

InChI

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