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

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-1-methyl-N-phenyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-2-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=CC=CC=[N+]3C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)Cl.[I-]

InChI

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