(phenylmethyl) 4-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylate dihydrochloride

Systemtic Name: (phenylmethyl) 4-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylate dihydrochloride Openeye Name: benzyl 4-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylate dihydrochloride CAS Name: 4-[3-(aminomethyl)-1-azetidinyl]-1-piperidinecarboxylic acid (phenylmethyl) ester dihydrochloride IUPAC Name: benzyl 4-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylate dihydrochloride Traditional Name: 4-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylic acid benzyl ester dihydrochloride Formula: C17H27Cl2N3O2 MolecularWeight: 376.32118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CC(C2)CN)C(=O)OCC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

C1CN(CCC1N2CC(C2)CN)C(=O)OCC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C17H25N3O2.2ClH/c18-10-15-11-20(12-15)16-6-8-19(9-7-16)17(21)22-13-14-4-2-1-3-5-14;;/h1-5,15-16H,6-13,18H2;2*1H