N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-methyl-N-phenyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-methyl-N-phenylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-1-methyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide Formula: C38H55IN2O2 MolecularWeight: 698.75997

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3C)C(C)(C)C.[I-]

InChI

InChI=1S/C38H55N2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-22-29-42-36-27-26-32(30-34(36)38(2,3)4)31-40(33-23-18-17-19-24-33)37(41)35-25-20-21-28-39(35)5;/h17-21,23-28,30H,6-16,22,29,31H2,1-5H3;1H/q+1;/p-1