1-[5-azanyl-1,4,6-trimethyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]ethanone iodide

Systemtic Name: 1-[5-azanyl-1,4,6-trimethyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]ethanone iodide Openeye Name: 1-[5-amino-1,4,6-trimethyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]ethanone iodide CAS Name: 1-[5-amino-1,4,6-trimethyl-3-(4-tetradecoxyphenyl)-2-pyridin-1-iumyl]ethanone iodide IUPAC Name: 1-[5-amino-1,4,6-trimethyl-3-(4-tetradecoxyphenyl)pyridin-1-ium-2-yl]ethanone iodide Traditional Name: 1-[5-amino-1,4,6-trimethyl-3-(4-myristyloxyphenyl)pyridin-1-ium-2-yl]ethanone iodide Formula: C30H47IN2O2 MolecularWeight: 594.61085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C([N+](=C2C(=O)C)C)C)N)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=C([N+](=C2C(=O)C)C)C)N)C.[I-]

InChI

InChI=1S/C30H46N2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-22-34-27-20-18-26(19-21-27)28-23(2)29(31)24(3)32(5)30(28)25(4)33;/h18-21H,6-17,22H2,1-5H3,(H-,31,33);1H