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

Systemtic Name: 4-dodecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: 4-dodecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: 4-dodecoxy-3-methoxy-N-[(1-propyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 4-dodecoxy-3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: 4-lauryloxy-3-methoxy-N-[(1-propylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C29H45IN2O3 MolecularWeight: 596.58367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)CCC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=C[N+](=CC=C2)CCC)OC.[I-]

InChI

InChI=1S/C29H44N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-21-34-27-18-17-26(22-28(27)33-3)29(32)30-23-25-16-15-20-31(24-25)19-5-2;/h15-18,20,22,24H,4-14,19,21,23H2,1-3H3;1H