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

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-ethyl-N-phenyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-ethyl-N-phenylpyridin-1-ium-3-carboxamide iodide Traditional Name: 1-ethyl-N-(4-lauryloxy-2-methyl-benzyl)-N-phenyl-pyridin-1-ium-3-carboxamide iodide Formula: C34H47IN2O2 MolecularWeight: 642.65365

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H47N2O2.HI/c1-4-6-7-8-9-10-11-12-13-17-25-38-33-23-22-30(29(3)26-33)28-36(32-20-15-14-16-21-32)34(37)31-19-18-24-35(5-2)27-31;/h14-16,18-24,26-27H,4-13,17,25,28H2,1-3H3;1H/q+1;/p-1