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

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-ethyl-N-phenyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-ethyl-N-phenylpyridin-1-ium-4-carboxamide iodide Traditional Name: 1-ethyl-N-(4-lauryloxy-3-methoxy-benzyl)-N-phenyl-pyridin-1-ium-4-carboxamide iodide Formula: C34H47IN2O3 MolecularWeight: 658.65305

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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=[N+](C=C3)CC)OC.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C34H47N2O3.HI/c1-4-6-7-8-9-10-11-12-13-17-26-39-32-21-20-29(27-33(32)38-3)28-36(31-18-15-14-16-19-31)34(37)30-22-24-35(5-2)25-23-30;/h14-16,18-25,27H,4-13,17,26,28H2,1-3H3;1H/q+1;/p-1