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

Systemtic Name: 3-[(4-butyl-4-methyl-piperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 3-[(4-butyl-4-methyl-piperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 3-[(4-butyl-4-methyl-1-piperazin-4-iumyl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 3-[(4-butyl-4-methylpiperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 3-[(4-butyl-4-methyl-piperazin-4-ium-1-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C25H34N3OS+ MolecularWeight: 424.62196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3OS/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/p+1