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

Systemtic Name: 1-ethyl-N-[1-(3-methoxy-4-tetradecoxy-phenyl)ethyl]pyridin-1-ium-2-carboxamide iodide Openeye Name: 1-ethyl-N-[1-(3-methoxy-4-tetradecoxy-phenyl)ethyl]pyridin-1-ium-2-carboxamide iodide CAS Name: 1-ethyl-N-[1-(3-methoxy-4-tetradecoxyphenyl)ethyl]-2-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-ethyl-N-[1-(3-methoxy-4-tetradecoxyphenyl)ethyl]pyridin-1-ium-2-carboxamide iodide Traditional Name: 1-ethyl-N-[1-(3-methoxy-4-myristyloxy-phenyl)ethyl]pyridin-1-ium-2-carboxamide iodide Formula: C31H49IN2O3 MolecularWeight: 624.63683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H48N2O3.HI/c1-5-7-8-9-10-11-12-13-14-15-16-19-24-36-29-22-21-27(25-30(29)35-4)26(3)32-31(34)28-20-17-18-23-33(28)6-2;/h17-18,20-23,25-26H,5-16,19,24H2,1-4H3;1H