(4-pyridin-3-ylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone dihydrochloride

Systemtic Name: (4-pyridin-3-ylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone dihydrochloride Openeye Name: [4-(3-pyridylsulfanyl)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone dihydrochloride CAS Name: [4-(3-pyridinylthio)phenyl]-[(2S)-2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]methanone dihydrochloride IUPAC Name: (4-pyridin-3-ylsulfanylphenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone dihydrochloride Traditional Name: [4-(3-pyridylthio)phenyl]-[(2S)-2-(pyrrolidinomethyl)pyrrolidino]methanone dihydrochloride Formula: C21H27Cl2N3OS MolecularWeight: 440.42958

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2CCCN2C(=O)C3=CC=C(C=C3)SC4=CN=CC=C4.Cl.Cl

Isomeric SMILES

C1CCN(C1)C[C@@H]2CCCN2C(=O)C3=CC=C(C=C3)SC4=CN=CC=C4.Cl.Cl

InChI

InChI=1S/C21H25N3OS.2ClH/c25-21(24-14-4-5-18(24)16-23-12-1-2-13-23)17-7-9-19(10-8-17)26-20-6-3-11-22-15-20;;/h3,6-11,15,18H,1-2,4-5,12-14,16H2;2*1H/t18-;;/m0../s1