(3S)-3-azanyl-1-(1,3-benzodioxol-5-yl)-4-(1H-imidazol-5-yl)butan-2-one hydrochloride

Systemtic Name: (3S)-3-azanyl-1-(1,3-benzodioxol-5-yl)-4-(1H-imidazol-5-yl)butan-2-one hydrochloride Openeye Name: (3S)-3-amino-1-(1,3-benzodioxol-5-yl)-4-(1H-imidazol-5-yl)butan-2-one hydrochloride CAS Name: (3S)-3-amino-1-(1,3-benzodioxol-5-yl)-4-(1H-imidazol-5-yl)-2-butanone hydrochloride IUPAC Name: (3S)-3-amino-1-(1,3-benzodioxol-5-yl)-4-(1H-imidazol-5-yl)butan-2-one hydrochloride Traditional Name: (3S)-3-amino-1-(1,3-benzodioxol-5-yl)-4-(1H-imidazol-5-yl)butan-2-one hydrochloride Formula: C14H16ClN3O3 MolecularWeight: 309.74814

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC(=O)C(CC3=CN=CN3)N.Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC(=O)[C@H](CC3=CN=CN3)N.Cl

InChI

InChI=1S/C14H15N3O3.ClH/c15-11(5-10-6-16-7-17-10)12(18)3-9-1-2-13-14(4-9)20-8-19-13;/h1-2,4,6-7,11H,3,5,8,15H2,(H,16,17);1H/t11-;/m0./s1