methyl (2R)-7-bromanyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-7-bromanyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-carboxylate Openeye Name: methyl (2R)-7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-carboxylate CAS Name: (2R)-7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-carboxylate Traditional Name: (2R)-7-bromo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-carboxylic acid methyl ester Formula: C11H14BrN2O2+ MolecularWeight: 286.14506

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C[NH2+]CC2=C(N1)C=CC(=C2)Br

Isomeric SMILES

COC(=O)[C@H]1C[NH2+]CC2=C(N1)C=CC(=C2)Br

InChI

InChI=1S/C11H13BrN2O2/c1-16-11(15)10-6-13-5-7-4-8(12)2-3-9(7)14-10/h2-4,10,13-14H,5-6H2,1H3/p+1/t10-/m1/s1