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

Systemtic Name: N-[1-(3-chloranyl-4-tetradecoxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[1-(3-chloro-4-tetradecoxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[1-(3-chloro-4-tetradecoxyphenyl)propyl]-1-methyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(3-chloro-4-tetradecoxyphenyl)propyl]-1-methylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-[1-(3-chloro-4-myristyloxy-phenyl)propyl]-1-methyl-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)C(CC)NC(=O)C2=CC=[N+](C=C2)C)Cl.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C30H45ClN2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-23-35-29-18-17-26(24-27(29)31)28(5-2)32-30(34)25-19-21-33(3)22-20-25;/h17-22,24,28H,4-16,23H2,1-3H3;1H