5-chloranyl-2-(1,4-diazepan-1-yl)-7-methyl-1,3-benzoxazole; sulfuric acid

Systemtic Name: 5-chloranyl-2-(1,4-diazepan-1-yl)-7-methyl-1,3-benzoxazole; sulfuric acid Openeye Name: 5-chloro-2-(1,4-diazepan-1-yl)-7-methyl-1,3-benzoxazole; sulfuric acid CAS Name: 5-chloro-2-(1,4-diazepan-1-yl)-7-methyl-1,3-benzoxazole; sulfuric acid IUPAC Name: 5-chloro-2-(1,4-diazepan-1-yl)-7-methyl-1,3-benzoxazole; sulfuric acid Traditional Name: 5-chloro-2-(1,4-diazepan-1-yl)-7-methyl-1,3-benzoxazole; sulfuric acid Formula: C13H18ClN3O5S MolecularWeight: 363.81712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1OC(=N2)N3CCCNCC3)Cl.OS(=O)(=O)O

Isomeric SMILES

CC1=CC(=CC2=C1OC(=N2)N3CCCNCC3)Cl.OS(=O)(=O)O

InChI

InChI=1S/C13H16ClN3O.H2O4S/c1-9-7-10(14)8-11-12(9)18-13(16-11)17-5-2-3-15-4-6-17;1-5(2,3)4/h7-8,15H,2-6H2,1H3;(H2,1,2,3,4)