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

Systemtic Name: 1-ethyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]pyridin-1-ium-4-carboxamide iodide Openeye Name: 1-ethyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]pyridin-1-ium-4-carboxamide iodide CAS Name: 1-ethyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]-4-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-ethyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]pyridin-1-ium-4-carboxamide iodide Traditional Name: 1-ethyl-N-(2-methyl-3-myristyloxy-benzyl)pyridin-1-ium-4-carboxamide iodide Formula: C30H47IN2O2 MolecularWeight: 594.61085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CNC(=O)C2=CC=[N+](C=C2)CC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CNC(=O)C2=CC=[N+](C=C2)CC.[I-]

InChI

InChI=1S/C30H46N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-24-34-29-19-17-18-28(26(29)3)25-31-30(33)27-20-22-32(5-2)23-21-27;/h17-23H,4-16,24-25H2,1-3H3;1H