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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CCC)C(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CCC)C(=O)C)C(C)(C)C

InChI

InChI=1S/C36H57N2O3/c1-7-9-10-11-12-13-14-15-16-19-28-41-34-24-23-31(29-33(34)36(4,5)6)35(40)38(30(3)39)27-20-22-32-21-17-18-26-37(32)25-8-2/h17-18,21,23-24,26,29H,7-16,19-20,22,25,27-28H2,1-6H3/q+1