N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-phenyl-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C39H57IN2O2 MolecularWeight: 712.78655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CCC)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CCC)C.[I-]

InChI

InChI=1S/C39H57N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-23-31-43-37-28-27-35(34(3)32-37)33-41(36-24-19-18-20-25-36)39(42)38-26-21-22-30-40(38)29-5-2;/h18-22,24-28,30,32H,4-17,23,29,31,33H2,1-3H3;1H/q+1;/p-1