tert-butyl 4-[(2S)-2-oxidanylpropyl]-1,4-diazepan-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-2-oxidanylpropyl]-1,4-diazepan-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-hydroxypropyl]-1,4-diazepan-4-ium-1-carboxylate CAS Name: 4-[(2S)-2-hydroxypropyl]-1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-2-hydroxypropyl]-1,4-diazepan-4-ium-1-carboxylate Traditional Name: 4-[(2S)-2-hydroxypropyl]-1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester Formula: C13H27N2O3+ MolecularWeight: 259.36508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCN(CC1)C(=O)OC(C)(C)C)O

Isomeric SMILES

C[C@@H](C[NH+]1CCCN(CC1)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C13H26N2O3/c1-11(16)10-14-6-5-7-15(9-8-14)12(17)18-13(2,3)4/h11,16H,5-10H2,1-4H3/p+1/t11-/m0/s1