3-(piperidin-1-ylmethyl)benzoic acid hydrate dihydrochloride

Systemtic Name: 3-(piperidin-1-ylmethyl)benzoic acid hydrate dihydrochloride Openeye Name: 3-(1-piperidylmethyl)benzoic acid hydrate dihydrochloride CAS Name: 3-(1-piperidinylmethyl)benzoic acid hydrate dihydrochloride IUPAC Name: 3-(piperidin-1-ylmethyl)benzoic acid hydrate dihydrochloride Traditional Name: 3-(piperidinomethyl)benzoic acid hydrate dihydrochloride Formula: C26H38Cl2N2O5 MolecularWeight: 529.49632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC(=C2)C(=O)O.C1CCN(CC1)CC2=CC=CC(=C2)C(=O)O.O.Cl.Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC(=C2)C(=O)O.C1CCN(CC1)CC2=CC=CC(=C2)C(=O)O.O.Cl.Cl

InChI

InChI=1S/2C13H17NO2.2ClH.H2O/c2*15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14;;;/h2*4-6,9H,1-3,7-8,10H2,(H,15,16);2*1H;1H2