(3S)-3-azanyl-1-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)butan-2-one dichloride

Systemtic Name: (3S)-3-azanyl-1-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)butan-2-one dichloride Openeye Name: (3S)-3-amino-1-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)butan-2-one dichloride CAS Name: (3S)-3-amino-1-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)-2-butanone dichloride IUPAC Name: (3S)-3-amino-1-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)butan-2-one dichloride Traditional Name: (3S)-3-amino-1-(3-hydroxyphenyl)-4-(1H-imidazol-5-yl)butan-2-one dichloride Formula: C13H15Cl2N3O2-2 MolecularWeight: 316.1831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O2.2ClH/c14-12(6-10-7-15-8-16-10)13(18)5-9-2-1-3-11(17)4-9;;/h1-4,7-8,12,17H,5-6,14H2,(H,15,16);2*1H/p-2/t12-;;/m0../s1