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

Systemtic Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-N-phenyl-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(3-methoxy-4-myristyloxy-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C37H53IN2O3 MolecularWeight: 700.73279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CCC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CCC)OC.[I-]

InChI

InChI=1S/C37H53N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-21-29-42-35-26-25-32(30-36(35)41-3)31-39(33-22-17-16-18-23-33)37(40)34-24-19-20-28-38(34)27-5-2;/h16-20,22-26,28,30H,4-15,21,27,29,31H2,1-3H3;1H/q+1;/p-1