3-tert-butyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)benzamide

Systemtic Name: 3-tert-butyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)benzamide Openeye Name: N-benzoyl-3-tert-butyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide CAS Name: N-benzoyl-3-tert-butyl-4-dodecoxy-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]benzamide IUPAC Name: N-benzoyl-3-tert-butyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide Traditional Name: N-benzoyl-3-tert-butyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-lauryloxy-benzamide Formula: C38H53N2O3+ MolecularWeight: 585.83902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C38H53N2O3/c1-6-8-9-10-11-12-13-14-15-21-28-43-35-26-25-32(29-34(35)38(3,4)5)37(42)40(36(41)31-22-17-16-18-23-31)30-33-24-19-20-27-39(33)7-2/h16-20,22-27,29H,6-15,21,28,30H2,1-5H3/q+1