[4-(2-undecylpyrimidin-5-yl)phenyl] 1-decanoylpiperidin-1-ium-1-carboxylate

Systemtic Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 1-decanoylpiperidin-1-ium-1-carboxylate Openeye Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 1-decanoylpiperidin-1-ium-1-carboxylate CAS Name: 1-(1-oxodecyl)-1-piperidin-1-iumcarboxylic acid [4-(2-undecyl-5-pyrimidinyl)phenyl] ester IUPAC Name: [4-(2-undecylpyrimidin-5-yl)phenyl] 1-decanoylpiperidin-1-ium-1-carboxylate Traditional Name: 1-caprylpiperidin-1-ium-1-carboxylic acid [4-(2-undecylpyrimidin-5-yl)phenyl] ester Formula: C37H58N3O3+ MolecularWeight: 592.87472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)[N+]3(CCCCC3)C(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=NC=C(C=N1)C2=CC=C(C=C2)OC(=O)[N+]3(CCCCC3)C(=O)CCCCCCCCC

InChI

InChI=1S/C37H58N3O3/c1-3-5-7-9-11-12-14-15-18-22-35-38-30-33(31-39-35)32-24-26-34(27-25-32)43-37(42)40(28-20-17-21-29-40)36(41)23-19-16-13-10-8-6-4-2/h24-27,30-31H,3-23,28-29H2,1-2H3/q+1