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

Systemtic Name: N-[1-(3-chloranyl-4-dodecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(3-chloro-4-dodecoxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(3-chloro-4-dodecoxyphenyl)ethyl]-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(3-chloro-4-dodecoxyphenyl)ethyl]-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(3-chloro-4-lauryloxy-phenyl)ethyl]-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C29H44ClIN2O2 MolecularWeight: 615.02933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2CCC)Cl.[I-]

InChI

InChI=1S/C29H43ClN2O2.HI/c1-4-6-7-8-9-10-11-12-13-16-22-34-28-19-18-25(23-26(28)30)24(3)31-29(33)27-17-14-15-21-32(27)20-5-2;/h14-15,17-19,21,23-24H,4-13,16,20,22H2,1-3H3;1H