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

Systemtic Name: (3S)-3-azanyl-4-(1H-imidazol-5-yl)-1-(4-methoxyphenyl)butan-2-one dichloride Openeye Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-methoxyphenyl)butan-2-one dichloride CAS Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-methoxyphenyl)-2-butanone dichloride IUPAC Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-methoxyphenyl)butan-2-one dichloride Traditional Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-methoxyphenyl)butan-2-one dichloride Formula: C14H17Cl2N3O2-2 MolecularWeight: 330.20968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)C(CC2=CN=CN2)N.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)[C@H](CC2=CN=CN2)N.[Cl-].[Cl-]

InChI

InChI=1S/C14H17N3O2.2ClH/c1-19-12-4-2-10(3-5-12)6-14(18)13(15)7-11-8-16-9-17-11;;/h2-5,8-9,13H,6-7,15H2,1H3,(H,16,17);2*1H/p-2/t13-;;/m0../s1