tert-butyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-4-ium-1-carboxylate CAS Name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-4-ium-1-carboxylate Traditional Name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-4-ium-1-carboxylic acid tert-butyl ester Formula: C14H25N4O3+ MolecularWeight: 297.3733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C[NH+]2CCCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC(=NO1)C[NH+]2CCCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H24N4O3/c1-11-15-12(16-21-11)10-17-6-5-7-18(9-8-17)13(19)20-14(2,3)4/h5-10H2,1-4H3/p+1