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

Systemtic Name: 2-(4-dodecoxy-3-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: 2-(4-dodecoxy-3-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: 2-(4-dodecoxy-3-methoxyphenyl)-N-[(1-propyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(4-dodecoxy-3-methoxyphenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: 2-(4-lauryloxy-3-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C30H47IN2O3 MolecularWeight: 610.61025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O3.HI/c1-4-6-7-8-9-10-11-12-13-16-22-35-28-19-18-26(23-29(28)34-3)24-30(33)31-25-27-17-14-15-21-32(27)20-5-2;/h14-15,17-19,21,23H,4-13,16,20,22,24-25H2,1-3H3;1H