4-(azepan-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one hydrobromide

Systemtic Name: 4-(azepan-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one hydrobromide Openeye Name: 4-(azepan-1-yl)-1-thiazol-2-yl-butan-1-one hydrobromide CAS Name: 4-(1-azepanyl)-1-(2-thiazolyl)-1-butanone hydrobromide IUPAC Name: 4-(azepan-1-yl)-1-(1,3-thiazol-2-yl)butan-1-one hydrobromide Traditional Name: 4-(azepan-1-yl)-1-thiazol-2-yl-butan-1-one hydrobromide Formula: C13H21BrN2OS MolecularWeight: 333.28764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCC(=O)C2=NC=CS2.Br

Isomeric SMILES

C1CCCN(CC1)CCCC(=O)C2=NC=CS2.Br

InChI

InChI=1S/C13H20N2OS.BrH/c16-12(13-14-7-11-17-13)6-5-10-15-8-3-1-2-4-9-15;/h7,11H,1-6,8-10H2;1H