4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenol; ethanedioic acid; hydrate

Systemtic Name: 4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenol; ethanedioic acid; hydrate Openeye Name: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; oxalic acid; hydrate CAS Name: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; oxalic acid; hydrate IUPAC Name: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; oxalic acid; hydrate Traditional Name: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; oxalic acid; hydrate Formula: C18H29NO7 MolecularWeight: 371.42536

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(=O)(C(=O)O)O.O

Isomeric SMILES

CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C16H25NO2.C2H2O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;3-1(4)2(5)6;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;(H,3,4)(H,5,6);1H2