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

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-1-ethyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-1-ethylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-1-ethyl-pyridin-1-ium-3-carboxamide iodide Formula: C27H40ClIN2O2 MolecularWeight: 586.97617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-19-32-26-17-16-23(20-25(26)28)21-29-27(31)24-15-14-18-30(4-2)22-24;/h14-18,20,22H,3-13,19,21H2,1-2H3;1H