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

Systemtic Name: N-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: N-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: N-(3-tert-butyl-4-hexadecoxyphenyl)-N-[(1-propyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-(3-tert-butyl-4-hexadecoxyphenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: N-(3-tert-butyl-4-cetyloxy-phenyl)-N-[(1-propylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C37H61IN2O2 MolecularWeight: 692.79691

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=CC=[N+](C=C2)CCC)C(=O)C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)N(CC2=CC=[N+](C=C2)CCC)C(=O)C)C(C)(C)C.[I-]

InChI

InChI=1S/C37H61N2O2.HI/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-29-41-36-23-22-34(30-35(36)37(4,5)6)39(32(3)40)31-33-24-27-38(26-8-2)28-25-33;/h22-25,27-28,30H,7-21,26,29,31H2,1-6H3;1H/q+1;/p-1