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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)C(C)NC(=O)C2=CC=CC=[N+]2C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)C(C)NC(=O)C2=CC=CC=[N+]2C.[I-]

InChI

InChI=1S/C30H46N2O2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-18-24-34-29-22-19-20-27(25(29)2)26(3)31-30(33)28-21-16-17-23-32(28)4;/h16-17,19-23,26H,5-15,18,24H2,1-4H3;1H