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

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-1-methyl-N-phenyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide Formula: C32H42ClIN2O2 MolecularWeight: 649.04555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=C[N+](=CC=C3)C)Cl.[I-]

InChI

InChI=1S/C32H42ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-15-23-37-31-21-20-27(24-30(31)33)25-35(29-18-13-12-14-19-29)32(36)28-17-16-22-34(2)26-28;/h12-14,16-22,24,26H,3-11,15,23,25H2,1-2H3;1H/q+1;/p-1