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

Systemtic Name: 3-tert-butyl-N-ethanoyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide Openeye Name: N-acetyl-3-tert-butyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide CAS Name: N-acetyl-3-tert-butyl-N-[(1-propyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide IUPAC Name: N-acetyl-3-tert-butyl-N-[(1-propylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide Traditional Name: N-acetyl-3-tert-butyl-4-myristyloxy-N-[(1-propylpyridin-1-ium-2-yl)methyl]benzamide Formula: C36H57N2O3+ MolecularWeight: 565.84938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H57N2O3/c1-7-9-10-11-12-13-14-15-16-17-18-21-27-41-34-24-23-31(28-33(34)36(4,5)6)35(40)38(30(3)39)29-32-22-19-20-26-37(32)25-8-2/h19-20,22-24,26,28H,7-18,21,25,27,29H2,1-6H3/q+1