tert-butyl 6-azanyl-5-cyano-1'-methyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidin-1-ium]-3-carboxylate

Systemtic Name: tert-butyl 6-azanyl-5-cyano-1'-methyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidin-1-ium]-3-carboxylate Openeye Name: tert-butyl 6-amino-5-cyano-1'-methyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidin-1-ium]-3-carboxylate CAS Name: 6-amino-5-cyano-1'-methyl-3-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidin-1-ium]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-amino-5-cyano-1'-methylspiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidin-1-ium]-3-carboxylate Traditional Name: 6-amino-5-cyano-1'-methyl-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-piperidin-1-ium]-3-carboxylic acid tert-butyl ester Formula: C17H24N5O3+ MolecularWeight: 346.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C2C(=NN1)OC(=C(C23CC[NH+](CC3)C)C#N)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=C2C(=NN1)OC(=C(C23CC[NH+](CC3)C)C#N)N

InChI

InChI=1S/C17H23N5O3/c1-16(2,3)25-15(23)12-11-14(21-20-12)24-13(19)10(9-18)17(11)5-7-22(4)8-6-17/h5-8,19H2,1-4H3,(H,20,21)/p+1