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

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-ethyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-ethylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-1-ethyl-pyridin-1-ium-2-carboxamide iodide Formula: C35H57IN2O2 MolecularWeight: 664.74375

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2CC)C(C)(C)C.[I-]

InChI

InChI=1S/C35H56N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-22-27-39-33-25-24-30(28-31(33)35(3,4)5)29-36-34(38)32-23-20-21-26-37(32)7-2;/h20-21,23-26,28H,6-19,22,27,29H2,1-5H3;1H