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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-phenyl-1-propyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-3-carboxamide iodide Formula: C38H55IN2O2 MolecularWeight: 698.75997

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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)CCC)C(C)(C)C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C38H55N2O2.HI/c1-6-8-9-10-11-12-13-14-15-19-28-42-36-25-24-32(29-35(36)38(3,4)5)30-40(34-22-17-16-18-23-34)37(41)33-21-20-27-39(31-33)26-7-2;/h16-18,20-25,27,29,31H,6-15,19,26,28,30H2,1-5H3;1H/q+1;/p-1