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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-propyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-1-propyl-pyridin-1-ium-4-carboxamide Formula: C32H51N2O2+ MolecularWeight: 495.75954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50N2O2/c1-6-8-9-10-11-12-13-14-15-16-24-36-30-18-17-27(25-29(30)32(3,4)5)26-33-31(35)28-19-22-34(21-7-2)23-20-28/h17-20,22-23,25H,6-16,21,24,26H2,1-5H3/p+1