tert-butyl 3,3-dimethyl-1-[2-(oxidanylidenemethylidene)-5-phenyl-pyrrolidin-1-yl]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 3,3-dimethyl-1-[2-(oxidanylidenemethylidene)-5-phenyl-pyrrolidin-1-yl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 3,3-dimethyl-1-[2-(oxomethylene)-5-phenyl-pyrrolidin-1-yl]piperidin-1-ium-1-carboxylate CAS Name: 3,3-dimethyl-1-[2-(oxomethylidene)-5-phenyl-1-pyrrolidinyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3,3-dimethyl-1-[2-(oxomethylidene)-5-phenylpyrrolidin-1-yl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[2-(ketomethylene)-5-phenyl-pyrrolidino]-3,3-dimethyl-piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC[N+](C1)(C(=O)OC(C)(C)C)N2C(CCC2=C=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CCC[N+](C1)(C(=O)OC(C)(C)C)N2C(CCC2=C=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H33N2O3/c1-22(2,3)28-21(27)25(15-9-14-23(4,5)17-25)24-19(16-26)12-13-20(24)18-10-7-6-8-11-18/h6-8,10-11,20H,9,12-15,17H2,1-5H3/q+1