tert-butyl 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)-3H-pyrrolizin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)-3H-pyrrolizin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[4-(3,5-dimethylpyrazol-1-yl)-1-piperidyl]-2-(thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylate CAS Name: 4-[4-(3,5-dimethyl-1-pyrazolyl)-1-piperidinyl]-2-[oxo(3-thiazolidinyl)methyl]-3H-pyrrolizin-4-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylate Traditional Name: 4-[4-(3,5-dimethylpyrazol-1-yl)piperidino]-2-(thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylic acid tert-butyl ester Formula: C26H36N5O3S+ MolecularWeight: 498.66074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2CCN(CC2)[N+]34CC(=C(C3=CC=C4)C(=O)OC(C)(C)C)C(=O)N5CCSC5)C

Isomeric SMILES

CC1=CC(=NN1C2CCN(CC2)[N+]34CC(=C(C3=CC=C4)C(=O)OC(C)(C)C)C(=O)N5CCSC5)C

InChI

InChI=1S/C26H36N5O3S/c1-18-15-19(2)30(27-18)20-8-10-29(11-9-20)31-13-6-7-22(31)23(25(33)34-26(3,4)5)21(16-31)24(32)28-12-14-35-17-28/h6-7,13,15,20H,8-12,14,16-17H2,1-5H3/q+1