5-nitro-1'-(2-pyridin-2-ylethyl)spiro[1,3-benzodithiole-2,4'-piperidine] dihydrochloride

Systemtic Name: 5-nitro-1'-(2-pyridin-2-ylethyl)spiro[1,3-benzodithiole-2,4'-piperidine] dihydrochloride Openeye Name: 5-nitro-1'-[2-(2-pyridyl)ethyl]spiro[1,3-benzodithiole-2,4'-piperidine] dihydrochloride CAS Name: 5-nitro-1'-[2-(2-pyridinyl)ethyl]spiro[1,3-benzodithiole-2,4'-piperidine] dihydrochloride IUPAC Name: 5-nitro-1'-(2-pyridin-2-ylethyl)spiro[1,3-benzodithiole-2,4'-piperidine] dihydrochloride Traditional Name: 5-nitro-1'-[2-(2-pyridyl)ethyl]spiro[1,3-benzodithiole-2,4'-piperidine] dihydrochloride Formula: C18H21Cl2N3O2S2 MolecularWeight: 446.41424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12SC3=C(S2)C=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=N4.Cl.Cl

Isomeric SMILES

C1CN(CCC12SC3=C(S2)C=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=N4.Cl.Cl

InChI

InChI=1S/C18H19N3O2S2.2ClH/c22-21(23)15-4-5-16-17(13-15)25-18(24-16)7-11-20(12-8-18)10-6-14-3-1-2-9-19-14;;/h1-5,9,13H,6-8,10-12H2;2*1H