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

Systemtic Name: methyl (2R)-7-oxidanyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-carboxylate Openeye Name: methyl (2R)-7-hydroxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-carboxylate CAS Name: (2R)-7-hydroxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-carboxylic acid methyl ester IUPAC Name: methyl (2R)-7-hydroxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-carboxylate Traditional Name: (2R)-7-hydroxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium-2-carboxylic acid methyl ester Formula: C11H15N2O3+ MolecularWeight: 223.2484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3/c1-16-11(15)10-6-12-5-7-4-8(14)2-3-9(7)13-10/h2-4,10,12-14H,5-6H2,1H3/p+1/t10-/m1/s1