1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid trihydrate

Systemtic Name: 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid trihydrate Openeye Name: 1-(1-methyl-4-piperidyl)piperidine-4-carboxylic acid trihydrate CAS Name: 1-(1-methyl-4-piperidinyl)-4-piperidinecarboxylic acid trihydrate IUPAC Name: 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid trihydrate Traditional Name: 1-(1-methyl-4-piperidyl)isonipecotic acid trihydrate Formula: C24H50N4O7 MolecularWeight: 506.6764

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCC(CC2)C(=O)O.CN1CCC(CC1)N2CCC(CC2)C(=O)O.O.O.O

Isomeric SMILES

CN1CCC(CC1)N2CCC(CC2)C(=O)O.CN1CCC(CC1)N2CCC(CC2)C(=O)O.O.O.O

InChI

InChI=1S/2C12H22N2O2.3H2O/c2*1-13-6-4-11(5-7-13)14-8-2-10(3-9-14)12(15)16;;;/h2*10-11H,2-9H2,1H3,(H,15,16);3*1H2