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

Systemtic Name: N-[(2-methyl-4-tetradecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(2-methyl-4-tetradecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(2-methyl-4-tetradecoxyphenyl)methyl]-N-phenyl-1-propyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(2-methyl-4-tetradecoxyphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(2-methyl-4-myristyloxy-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Formula: C37H53IN2O2 MolecularWeight: 684.73339

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)CCC)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)CCC)C.[I-]

InChI

InChI=1S/C37H53N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-19-28-41-36-25-24-33(32(3)29-36)31-39(35-22-17-16-18-23-35)37(40)34-21-20-27-38(30-34)26-5-2;/h16-18,20-25,27,29-30H,4-15,19,26,28,31H2,1-3H3;1H/q+1;/p-1