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

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-ethyl-N-phenyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-1-ethyl-N-phenylpyridin-1-ium-4-carboxamide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-4-carboxamide Formula: C41H61N2O2+ MolecularWeight: 613.93524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)CC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)CC)C(C)(C)C

InChI

InChI=1S/C41H61N2O2/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-23-32-45-39-27-26-35(33-38(39)41(3,4)5)34-43(37-24-21-20-22-25-37)40(44)36-28-30-42(7-2)31-29-36/h20-22,24-31,33H,6-19,23,32,34H2,1-5H3/q+1