3-[(4-butyl-4-methyl-piperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one bromide

Systemtic Name: 3-[(4-butyl-4-methyl-piperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one bromide Openeye Name: 3-[(4-butyl-4-methyl-piperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one bromide CAS Name: 3-[(4-butyl-4-methyl-1-piperazin-4-iumyl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one bromide IUPAC Name: 3-[(4-butyl-4-methylpiperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one bromide Traditional Name: 3-[(4-butyl-4-methyl-piperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one bromide Formula: C25H34BrN3OS MolecularWeight: 504.52596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)CC2C(SC3=CC=CC=C3NC2=O)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CCCC[N+]1(CCN(CC1)CC2C(SC3=CC=CC=C3NC2=O)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C25H33N3OS.BrH/c1-3-4-16-28(2)17-14-27(15-18-28)19-21-24(20-10-6-5-7-11-20)30-23-13-9-8-12-22(23)26-25(21)29;/h5-13,21,24H,3-4,14-19H2,1-2H3;1H