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

Systemtic Name: 2-(3-tert-butyl-4-dodecoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-dodecoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-dodecoxyphenyl)-N-[(1-propyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-dodecoxyphenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-lauryloxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-23-37-31-20-19-28(24-30(31)33(3,4)5)25-32(36)34-26-29-18-17-22-35(27-29)21-7-2;/h17-20,22,24,27H,6-16,21,23,25-26H2,1-5H3;1H