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

Systemtic Name: N-[1-(3-chloranyl-4-tetradecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(3-chloro-4-tetradecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(3-chloro-4-tetradecoxyphenyl)ethyl]-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(3-chloro-4-tetradecoxyphenyl)ethyl]-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(3-chloro-4-myristyloxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C31H48ClIN2O2 MolecularWeight: 643.08249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)Cl.[I-]

InChI

InChI=1S/C31H47ClN2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-18-24-36-30-21-20-27(25-28(30)32)26(3)33-31(35)29-19-16-17-23-34(29)22-5-2;/h16-17,19-21,23,25-26H,4-15,18,22,24H2,1-3H3;1H