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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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