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

Systemtic Name: N-[1-(3-chloranyl-4-hexadecoxy-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(3-chloro-4-hexadecoxy-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(3-chloro-4-hexadecoxyphenyl)ethyl]-1-methyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(3-chloro-4-hexadecoxyphenyl)ethyl]-1-methylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(4-cetyloxy-3-chloro-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide Formula: C31H48ClIN2O2 MolecularWeight: 643.08249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2C)Cl.[I-]

InChI

InChI=1S/C31H47ClN2O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-36-30-22-21-27(25-28(30)32)26(2)33-31(35)29-20-17-18-23-34(29)3;/h17-18,20-23,25-26H,4-16,19,24H2,1-3H3;1H