tert-butyl 4-[2-[4-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-4-ium-1-yl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[4-(3-methoxy-3-oxidanylidene-propyl)-5-methyl-3-oxidanylidene-4-phenyl-1,2,4-triazolidin-4-ium-1-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[4-(3-methoxy-3-oxo-propyl)-5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-4-ium-1-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[4-(3-methoxy-3-oxopropyl)-5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-4-ium-1-yl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[4-(3-methoxy-3-oxopropyl)-5-methyl-3-oxo-4-phenyl-1,2,4-triazolidin-4-ium-1-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[3-keto-4-(3-keto-3-methoxy-propyl)-5-methyl-4-phenyl-1,2,4-triazolidin-4-ium-1-yl]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H39N4O5+ MolecularWeight: 475.60096

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(=O)[N+]1(CCC(=O)OC)C2=CC=CC=C2)CCC3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1N(NC(=O)[N+]1(CCC(=O)OC)C2=CC=CC=C2)CCC3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H38N4O5/c1-19-28(17-13-20-11-15-27(16-12-20)24(32)34-25(2,3)4)26-23(31)29(19,18-14-22(30)33-5)21-9-7-6-8-10-21/h6-10,19-20H,11-18H2,1-5H3/p+1