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

Systemtic Name: 2-(4-dodecoxy-3-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: 2-(4-dodecoxy-3-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: 2-(4-dodecoxy-3-methoxyphenyl)-N-[(1-propyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(4-dodecoxy-3-methoxyphenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: 2-(4-lauryloxy-3-methoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-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=[N+](C=C2)CCC)OC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-22-35-28-16-15-27(23-29(28)34-3)24-30(33)31-25-26-17-20-32(19-5-2)21-18-26;/h15-18,20-21,23H,4-14,19,22,24-25H2,1-3H3;1H