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

Systemtic Name: N-[1-(3-tert-butyl-4-dodecoxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[1-(3-tert-butyl-4-dodecoxy-phenyl)propyl]-1-methyl-pyridin-1-ium-4-carboxamide CAS Name: N-[1-(3-tert-butyl-4-dodecoxyphenyl)propyl]-1-methyl-4-pyridin-1-iumcarboxamide IUPAC Name: N-[1-(3-tert-butyl-4-dodecoxyphenyl)propyl]-1-methylpyridin-1-ium-4-carboxamide Traditional Name: N-[1-(3-tert-butyl-4-lauryloxy-phenyl)propyl]-1-methyl-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)C(CC)NC(=O)C2=CC=[N+](C=C2)C)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C32H50N2O2/c1-7-9-10-11-12-13-14-15-16-17-24-36-30-19-18-27(25-28(30)32(3,4)5)29(8-2)33-31(35)26-20-22-34(6)23-21-26/h18-23,25,29H,7-17,24H2,1-6H3/p+1