3-tert-butyl-N-ethanoyl-N-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide

Systemtic Name: 3-tert-butyl-N-ethanoyl-N-[(1-oxidanidylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide Openeye Name: N-acetyl-3-tert-butyl-N-[(1-oxidopyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide CAS Name: N-acetyl-3-tert-butyl-N-[(1-oxido-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide IUPAC Name: N-acetyl-3-tert-butyl-N-[(1-oxidopyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide Traditional Name: N-acetyl-3-tert-butyl-4-myristyloxy-N-[(1-oxidopyridin-1-ium-2-yl)methyl]benzamide Formula: C33H50N2O4 MolecularWeight: 538.7611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2[O-])C(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2[O-])C(=O)C)C(C)(C)C

InChI

InChI=1S/C33H50N2O4/c1-6-7-8-9-10-11-12-13-14-15-16-19-24-39-31-22-21-28(25-30(31)33(3,4)5)32(37)34(27(2)36)26-29-20-17-18-23-35(29)38/h17-18,20-23,25H,6-16,19,24,26H2,1-5H3