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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-phenyl-1-propyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Formula: C36H50ClIN2O2 MolecularWeight: 705.15187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H50ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-18-27-41-35-24-23-31(28-34(35)37)29-39(33-21-16-15-17-22-33)36(40)32-20-19-26-38(30-32)25-4-2;/h15-17,19-24,26,28,30H,3-14,18,25,27,29H2,1-2H3;1H/q+1;/p-1