2-oxidanylpropane-1,2,3-tricarboxylate; 1-(2-phenoxyethyl)-3-(piperidin-1-ylmethyl)piperidine

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 1-(2-phenoxyethyl)-3-(piperidin-1-ylmethyl)piperidine Openeye Name: 1-(2-phenoxyethyl)-3-(1-piperidylmethyl)piperidine citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-(2-phenoxyethyl)-3-(1-piperidinylmethyl)piperidine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-(2-phenoxyethyl)-3-(piperidin-1-ylmethyl)piperidine Traditional Name: 1-(2-phenoxyethyl)-3-(piperidinomethyl)piperidine citrate Formula: C25H35N2O8-3 MolecularWeight: 491.554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2CCCN(C2)CCOC3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1CCN(CC1)CC2CCCN(C2)CCOC3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C19H30N2O.C6H8O7/c1-3-9-19(10-4-1)22-15-14-21-13-7-8-18(17-21)16-20-11-5-2-6-12-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h1,3-4,9-10,18H,2,5-8,11-17H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3