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

Systemtic Name: 1-[5-azanyl-1,6-dimethyl-4-(4-tetradecoxyphenyl)pyridin-1-ium-3-yl]ethanone iodide Openeye Name: 1-[5-amino-1,6-dimethyl-4-(4-tetradecoxyphenyl)pyridin-1-ium-3-yl]ethanone iodide CAS Name: 1-[5-amino-1,6-dimethyl-4-(4-tetradecoxyphenyl)-3-pyridin-1-iumyl]ethanone iodide IUPAC Name: 1-[5-amino-1,6-dimethyl-4-(4-tetradecoxyphenyl)pyridin-1-ium-3-yl]ethanone iodide Traditional Name: 1-[5-amino-1,6-dimethyl-4-(4-myristyloxyphenyl)pyridin-1-ium-3-yl]ethanone iodide Formula: C29H45IN2O2 MolecularWeight: 580.58427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H45N2O2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-21-33-26-19-17-25(18-20-26)28-27(24(3)32)22-31(4)23(2)29(28)30;/h17-20,22H,5-16,21,30H2,1-4H3;1H/q+1;/p-1