1-[3-(aminomethyl)-1-methyl-2-(4-tetradecoxyphenyl)pyridin-1-ium-4-yl]ethanone iodide

Systemtic Name: 1-[3-(aminomethyl)-1-methyl-2-(4-tetradecoxyphenyl)pyridin-1-ium-4-yl]ethanone iodide Openeye Name: 1-[3-(aminomethyl)-1-methyl-2-(4-tetradecoxyphenyl)pyridin-1-ium-4-yl]ethanone iodide CAS Name: 1-[3-(aminomethyl)-1-methyl-2-(4-tetradecoxyphenyl)-4-pyridin-1-iumyl]ethanone iodide IUPAC Name: 1-[3-(aminomethyl)-1-methyl-2-(4-tetradecoxyphenyl)pyridin-1-ium-4-yl]ethanone iodide Traditional Name: 1-[3-(aminomethyl)-1-methyl-2-(4-myristyloxyphenyl)pyridin-1-ium-4-yl]ethanone iodide Formula: C29H45IN2O2 MolecularWeight: 580.58427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C=CC(=C2CN)C(=O)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=[N+](C=CC(=C2CN)C(=O)C)C.[I-]

InChI

InChI=1S/C29H45N2O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-33-26-18-16-25(17-19-26)29-28(23-30)27(24(2)32)20-21-31(29)3;/h16-21H,4-15,22-23,30H2,1-3H3;1H/q+1;/p-1