N,N-diethyl-2-(1-phenylcyclohexyl)ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: N,N-diethyl-2-(1-phenylcyclohexyl)ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: N,N-diethyl-2-(1-phenylcyclohexyl)ethanamine citrate CAS Name: N,N-diethyl-2-(1-phenylcyclohexyl)ethanamine; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: N,N-diethyl-2-(1-phenylcyclohexyl)ethanamine; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: diethyl-[2-(1-phenylcyclohexyl)ethyl]amine citrate Formula: C24H34NO7-3 MolecularWeight: 448.52926

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1(CCCCC1)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCC1(CCCCC1)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C18H29N.C6H8O7/c1-3-19(4-2)16-15-18(13-9-6-10-14-18)17-11-7-5-8-12-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5,7-8,11-12H,3-4,6,9-10,13-16H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3