tert-butyl (3S)-3-cyanopiperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-cyanopiperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (3S)-3-cyanopiperazin-4-ium-1-carboxylate CAS Name: (3S)-3-cyano-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-cyanopiperazin-4-ium-1-carboxylate Traditional Name: (3S)-3-cyanopiperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C10H18N3O2+ MolecularWeight: 212.26882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH2+]C(C1)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH2+][C@@H](C1)C#N

InChI

InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-5,7H2,1-3H3/p+1/t8-/m1/s1