2-oxidanylpropane-1,2,3-tricarboxylate; 4-(2-piperidin-1-ylethoxy)benzaldehyde

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; 4-(2-piperidin-1-ylethoxy)benzaldehyde Openeye Name: 4-[2-(1-piperidyl)ethoxy]benzaldehyde citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 4-[2-(1-piperidinyl)ethoxy]benzaldehyde IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 4-(2-piperidin-1-ylethoxy)benzaldehyde Traditional Name: 4-(2-piperidinoethoxy)benzaldehyde citrate Formula: C20H24NO9-3 MolecularWeight: 422.40586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C=O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C=O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C14H19NO2.C6H8O7/c16-12-13-4-6-14(7-5-13)17-11-10-15-8-2-1-3-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-7,12H,1-3,8-11H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3