3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]-5-(sulfooxymethyl)piperidine-1-carboxylate; trimethylazanium

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]-5-(sulfooxymethyl)piperidine-1-carboxylate; trimethylazanium Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3-(2-naphthylmethoxy)-5-(sulfooxymethyl)piperidine-1-carboxylate; trimethylammonium CAS Name: 3-(2-naphthalenylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]-5-(sulfooxymethyl)-1-piperidinecarboxylate; trimethylammonium IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[4-(3-phenylmethoxypropoxy)phenyl]-5-(sulfooxymethyl)piperidine-1-carboxylate; trimethylazanium Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3-(2-naphthylmethoxy)-5-(sulfoxymethyl)piperidine-1-carboxylate; trimethylammonium Formula: C37H46N2O9S MolecularWeight: 694.83414

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C.C1C(C(C(CN1C(=O)[O-])OCC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCCCOCC5=CC=CC=C5)COS(=O)(=O)O

Isomeric SMILES

C[NH+](C)C.C1C(C(C(CN1C(=O)[O-])OCC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OCCCOCC5=CC=CC=C5)COS(=O)(=O)O

InChI

InChI=1S/C34H37NO9S.C3H9N/c36-34(37)35-20-30(24-44-45(38,39)40)33(32(21-35)43-23-26-11-12-27-9-4-5-10-29(27)19-26)28-13-15-31(16-14-28)42-18-6-17-41-22-25-7-2-1-3-8-25;1-4(2)3/h1-5,7-16,19,30,32-33H,6,17-18,20-24H2,(H,36,37)(H,38,39,40);1-3H3