tert-butyl 4-(2-hydroxyethyl)-1,4-diazepan-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(2-hydroxyethyl)-1,4-diazepan-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(2-hydroxyethyl)-1,4-diazepan-4-ium-1-carboxylate CAS Name: 4-(2-hydroxyethyl)-1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-hydroxyethyl)-1,4-diazepan-4-ium-1-carboxylate Traditional Name: 4-(2-hydroxyethyl)-1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester Formula: C12H25N2O3+ MolecularWeight: 245.3385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC[NH+](CC1)CCO

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[NH+](CC1)CCO

InChI

InChI=1S/C12H24N2O3/c1-12(2,3)17-11(16)14-6-4-5-13(7-8-14)9-10-15/h15H,4-10H2,1-3H3/p+1