tert-butyl 2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-1-carboxylate Openeye Name: tert-butyl 2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-1-carboxylate CAS Name: 2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-1-carboxylate Traditional Name: 2,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-1-carboxylic acid tert-butyl ester Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH2+]CC2=CC=CC=C21

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH2+]CC2=CC=CC=C21

InChI

InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-8-15-10-11-6-4-5-7-12(11)16/h4-7,15H,8-10H2,1-3H3/p+1