tert-butyl 4-(4-indazol-1-ylpiperidin-1-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)-3H-pyrrolizin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(4-indazol-1-ylpiperidin-1-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)-3H-pyrrolizin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(4-indazol-1-yl-1-piperidyl)-2-(thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylate CAS Name: 4-[4-(1-indazolyl)-1-piperidinyl]-2-[oxo(3-thiazolidinyl)methyl]-3H-pyrrolizin-4-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-indazol-1-ylpiperidin-1-yl)-2-(1,3-thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylate Traditional Name: 4-(4-indazol-1-ylpiperidino)-2-(thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylic acid tert-butyl ester Formula: C28H34N5O3S+ MolecularWeight: 520.66626

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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)N4C5=CC=CC=C5C=N4)C(=O)N6CCSC6

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C[N+]2(C1=CC=C2)N3CCC(CC3)N4C5=CC=CC=C5C=N4)C(=O)N6CCSC6

InChI

InChI=1S/C28H34N5O3S/c1-28(2,3)36-27(35)25-22(26(34)30-14-16-37-19-30)18-33(15-6-9-24(25)33)31-12-10-21(11-13-31)32-23-8-5-4-7-20(23)17-29-32/h4-9,15,17,21H,10-14,16,18-19H2,1-3H3/q+1