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

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

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2CCC)OC.[I-]

InChI

InChI=1S/C29H44N2O3.HI/c1-4-6-7-8-9-10-11-12-13-16-22-34-27-19-18-25(23-28(27)33-3)29(32)30-24-26-17-14-15-21-31(26)20-5-2;/h14-15,17-19,21,23H,4-13,16,20,22,24H2,1-3H3;1H