tert-butyl 4-[4-(3,5-diphenylpyrazol-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-diphenylpyrazol-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-diphenylpyrazol-1-yl)-1-piperidyl]-2-(thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylate CAS Name: 4-[4-(3,5-diphenyl-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-diphenylpyrazol-1-yl)piperidin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylate Traditional Name: 4-[4-(3,5-diphenylpyrazol-1-yl)piperidino]-2-(thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylic acid tert-butyl ester Formula: C36H40N5O3S+ MolecularWeight: 622.7995

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C[N+]2(C1=CC=C2)N3CCC(CC3)N4C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N7CCSC7

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C[N+]2(C1=CC=C2)N3CCC(CC3)N4C(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N7CCSC7

InChI

InChI=1S/C36H40N5O3S/c1-36(2,3)44-35(43)33-29(34(42)38-20-22-45-25-38)24-41(21-10-15-32(33)41)39-18-16-28(17-19-39)40-31(27-13-8-5-9-14-27)23-30(37-40)26-11-6-4-7-12-26/h4-15,21,23,28H,16-20,22,24-25H2,1-3H3/q+1