9-azido-6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine; sulfuric acid

Systemtic Name: 9-azido-6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine; sulfuric acid Openeye Name: 9-azido-6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine; sulfuric acid CAS Name: 9-azido-6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine; sulfuric acid IUPAC Name: 9-azido-6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine; sulfuric acid Traditional Name: 9-azido-6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine; sulfuric acid Formula: C11H15ClN4O4S MolecularWeight: 334.7792

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=CC(=C2CC1)Cl)N=[N+]=[N-].OS(=O)(=O)O

Isomeric SMILES

CN1CCC2=C(C=CC(=C2CC1)Cl)N=[N+]=[N-].OS(=O)(=O)O

InChI

InChI=1S/C11H13ClN4.H2O4S/c1-16-6-4-8-9(5-7-16)11(14-15-13)3-2-10(8)12;1-5(2,3)4/h2-3H,4-7H2,1H3;(H2,1,2,3,4)