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

Systemtic Name: butanedioate; 4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenol; hydrate Openeye Name: butanedioate; 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; hydrate CAS Name: butanedioate; 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; hydrate IUPAC Name: butanedioate; 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; hydrate Traditional Name: 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; succinate; hydrate Formula: C20H31NO7-2 MolecularWeight: 397.46264

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)[O-])C(=O)[O-].O

Isomeric SMILES

CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O.C(CC(=O)[O-])C(=O)[O-].O

InChI

InChI=1S/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2/p-2