N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-phenyl-1-propyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-3-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=C[N+](=CC=C3)CCC)C.[I-]

Isomeric SMILES

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

InChI

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