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

Systemtic Name: (3S)-3-azanyl-4-(1H-imidazol-5-yl)-1-phenyl-butan-2-one dihydrochloride Openeye Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-phenyl-butan-2-one dihydrochloride CAS Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-phenyl-2-butanone dihydrochloride IUPAC Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one dihydrochloride Traditional Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-phenyl-butan-2-one dihydrochloride Formula: C13H17Cl2N3O MolecularWeight: 302.19958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O.2ClH/c14-12(7-11-8-15-9-16-11)13(17)6-10-4-2-1-3-5-10;;/h1-5,8-9,12H,6-7,14H2,(H,15,16);2*1H/t12-;;/m0../s1