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

Systemtic Name: 1-ethyl-N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]pyridin-1-ium-2-carboxamide iodide Openeye Name: 1-ethyl-N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]pyridin-1-ium-2-carboxamide iodide CAS Name: 1-ethyl-N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-2-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-ethyl-N-[(3-methoxy-4-tetradecoxyphenyl)methyl]pyridin-1-ium-2-carboxamide iodide Traditional Name: 1-ethyl-N-(3-methoxy-4-myristyloxy-benzyl)pyridin-1-ium-2-carboxamide iodide Formula: C30H47IN2O3 MolecularWeight: 610.61025

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC)OC.[I-]

InChI

InChI=1S/C30H46N2O3.HI/c1-4-6-7-8-9-10-11-12-13-14-15-18-23-35-28-21-20-26(24-29(28)34-3)25-31-30(33)27-19-16-17-22-32(27)5-2;/h16-17,19-22,24H,4-15,18,23,25H2,1-3H3;1H