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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-propyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-1-propyl-pyridin-1-ium-4-carboxamide iodide Formula: C30H46ClIN2O2 MolecularWeight: 629.05591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-23-35-29-17-16-26(24-28(29)31)25-32-30(34)27-18-21-33(20-4-2)22-19-27;/h16-19,21-22,24H,3-15,20,23,25H2,1-2H3;1H