N-(2-azanyl-1-phenyl-ethyl)-6-bromanyl-hexanamide; sulfuric acid

Systemtic Name: N-(2-azanyl-1-phenyl-ethyl)-6-bromanyl-hexanamide; sulfuric acid Openeye Name: N-(2-amino-1-phenyl-ethyl)-6-bromo-hexanamide; sulfuric acid CAS Name: N-(2-amino-1-phenylethyl)-6-bromohexanamide; sulfuric acid IUPAC Name: N-(2-amino-1-phenylethyl)-6-bromohexanamide; sulfuric acid Traditional Name: N-(2-amino-1-phenyl-ethyl)-6-bromo-hexanamide; sulfuric acid Formula: C14H23BrN2O5S MolecularWeight: 411.31182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN)NC(=O)CCCCCBr.OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CN)NC(=O)CCCCCBr.OS(=O)(=O)O

InChI

InChI=1S/C14H21BrN2O.H2O4S/c15-10-6-2-5-9-14(18)17-13(11-16)12-7-3-1-4-8-12;1-5(2,3)4/h1,3-4,7-8,13H,2,5-6,9-11,16H2,(H,17,18);(H2,1,2,3,4)