tert-butyl 4-[[1-methyl-1-(4-nitrophenyl)piperidin-1-ium-4-yl]amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[1-methyl-1-(4-nitrophenyl)piperidin-1-ium-4-yl]amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-methyl-1-(4-nitrophenyl)piperidin-1-ium-4-yl]amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[[1-methyl-1-(4-nitrophenyl)-4-piperidin-1-iumyl]amino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[1-methyl-1-(4-nitrophenyl)piperidin-1-ium-4-yl]amino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[[1-methyl-1-(4-nitrophenyl)piperidin-1-ium-4-yl]amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H38N5O5S+ MolecularWeight: 520.66472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)NC3CC[N+](CC3)(C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)NC3CC[N+](CC3)(C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H38N5O5S/c1-25(2,3)35-24(32)28-16-19(15-22(28)23(31)27-11-14-36-17-27)26-18-9-12-30(4,13-10-18)21-7-5-20(6-8-21)29(33)34/h5-8,18-19,22,26H,9-17H2,1-4H3/q+1