(3S)-3-azanyl-1-(3-bromophenyl)-4-(1H-imidazol-5-yl)butan-2-one dihydrochloride

Systemtic Name: (3S)-3-azanyl-1-(3-bromophenyl)-4-(1H-imidazol-5-yl)butan-2-one dihydrochloride Openeye Name: (3S)-3-amino-1-(3-bromophenyl)-4-(1H-imidazol-5-yl)butan-2-one dihydrochloride CAS Name: (3S)-3-amino-1-(3-bromophenyl)-4-(1H-imidazol-5-yl)-2-butanone dihydrochloride IUPAC Name: (3S)-3-amino-1-(3-bromophenyl)-4-(1H-imidazol-5-yl)butan-2-one dihydrochloride Traditional Name: (3S)-3-amino-1-(3-bromophenyl)-4-(1H-imidazol-5-yl)butan-2-one dihydrochloride Formula: C13H16BrCl2N3O MolecularWeight: 381.09564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CC(=O)C(CC2=CN=CN2)N.Cl.Cl

Isomeric SMILES

C1=CC(=CC(=C1)Br)CC(=O)[C@H](CC2=CN=CN2)N.Cl.Cl

InChI

InChI=1S/C13H14BrN3O.2ClH/c14-10-3-1-2-9(4-10)5-13(18)12(15)6-11-7-16-8-17-11;;/h1-4,7-8,12H,5-6,15H2,(H,16,17);2*1H/t12-;;/m0../s1