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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-3-carboxamide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-ethyl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-ethylpyridin-1-ium-3-carboxamide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-1-ethyl-pyridin-1-ium-3-carboxamide Formula: C31H49N2O2+ MolecularWeight: 481.73296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=C[N+](=CC=C2)CC)C(C)(C)C

InChI

InChI=1S/C31H48N2O2/c1-6-8-9-10-11-12-13-14-15-16-22-35-29-20-19-26(23-28(29)31(3,4)5)24-32-30(34)27-18-17-21-33(7-2)25-27/h17-21,23,25H,6-16,22,24H2,1-5H3/p+1