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sodium; 2-oxidanylpropane-1,2,3-tricarboxylic acid; N-(1-phenethylpiperidin-4-yl)-N-phenyl-propanamide; ethanoate

sodium; 2-oxidanylpropane-1,2,3-tricarboxylic acid; N-(1-phenethylpiperidin-4-yl)-N-phenyl-propanamide; ethanoate

Systemtic Name:sodium; 2-oxidanylpropane-1,2,3-tricarboxylic acid; N-(1-phenethylpiperidin-4-yl)-N-phenyl-propanamide; ethanoate
Openeye Name:sodium; citric acid; N-(1-phenethyl-4-piperidyl)-N-phenyl-propanamide; acetate
CAS Name:sodium; 2-hydroxypropane-1,2,3-tricarboxylic acid; N-(1-phenethyl-4-piperidinyl)-N-phenylpropanamide; acetate
IUPAC Name:sodium; 2-hydroxypropane-1,2,3-tricarboxylic acid; N-(1-phenethylpiperidin-4-yl)-N-phenylpropanamide; acetate
Traditional Name:sodium; citric acid; N-(1-phenethyl-4-piperidyl)-N-phenyl-propionamide; acetate
Formula: C30H39N2NaO10
MolecularWeight: 610.62783
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.CC(=O)[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na+]


Isomeric SMILES

CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3.CC(=O)[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.[Na+]


InChI

InChI=1S/C22H28N2O.C6H8O7.C2H4O2.Na/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(3)4;/h3-12,21H,2,13-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3,(H,3,4);/q;;;+1/p-1


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