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

Systemtic Name: tert-butyl 4-[4-(3-methylindazol-1-yl)piperidin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)-3H-pyrrolizin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-methylindazol-1-yl)-1-piperidyl]-2-(thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylate CAS Name: 4-[4-(3-methyl-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-(3-methylindazol-1-yl)piperidin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylate Traditional Name: 4-[4-(3-methylindazol-1-yl)piperidino]-2-(thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylic acid tert-butyl ester Formula: C29H36N5O3S+ MolecularWeight: 534.69284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=CC=CC=C12)C3CCN(CC3)[N+]45CC(=C(C4=CC=C5)C(=O)OC(C)(C)C)C(=O)N6CCSC6

Isomeric SMILES

CC1=NN(C2=CC=CC=C12)C3CCN(CC3)[N+]45CC(=C(C4=CC=C5)C(=O)OC(C)(C)C)C(=O)N6CCSC6

InChI

InChI=1S/C29H36N5O3S/c1-20-22-8-5-6-9-24(22)33(30-20)21-11-13-32(14-12-21)34-16-7-10-25(34)26(28(36)37-29(2,3)4)23(18-34)27(35)31-15-17-38-19-31/h5-10,16,21H,11-15,17-19H2,1-4H3/q+1