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

Systemtic Name: (3S)-3-azanyl-4-(1H-imidazol-5-yl)-1-(4-methylphenyl)butan-2-one hydrochloride Openeye Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(p-tolyl)butan-2-one hydrochloride CAS Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-methylphenyl)-2-butanone hydrochloride IUPAC Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-methylphenyl)butan-2-one hydrochloride Traditional Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(p-tolyl)butan-2-one hydrochloride Formula: C14H18ClN3O MolecularWeight: 279.76522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(=O)C(CC2=CN=CN2)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)CC(=O)[C@H](CC2=CN=CN2)N.Cl

InChI

InChI=1S/C14H17N3O.ClH/c1-10-2-4-11(5-3-10)6-14(18)13(15)7-12-8-16-9-17-12;/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,17);1H/t13-;/m0./s1