N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenyl-propanamide; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenyl-propanamide; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: N-[4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]-4-piperidyl]-N-phenyl-propanamide citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)-4-piperidinyl]-N-phenylpropanamide IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide Traditional Name: N-[4-(methoxymethyl)-1-[2-(2-thienyl)ethyl]-4-piperidyl]-N-phenyl-propionamide citrate Formula: C28H35N2O9S-3 MolecularWeight: 575.6505

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C22H30N2O2S.C6H8O7/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-10,17H,3,11-16,18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3