2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexanol citrate CAS Name: 2-(dimethylaminomethyl)-1-(3-methoxyphenyl)-1-cyclohexanol; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexanol citrate Formula: C22H30NO9-3 MolecularWeight: 452.4749

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C16H25NO2.C6H8O7/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3