N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-[(3R)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]ethanamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-[(3R)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]ethanamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-[(3R)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]acetamide Traditional Name: 2-[(3R)-4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]-N-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]acetamide Formula: C18H27N4O2S+ MolecularWeight: 363.49758

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCNC(=O)CC2CSC3=CC=CC=C3NC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)CCNC(=O)C[C@H]2CSC3=CC=CC=C3NC2=O

InChI

InChI=1S/C18H26N4O2S/c1-21-8-10-22(11-9-21)7-6-19-17(23)12-14-13-25-16-5-3-2-4-15(16)20-18(14)24/h2-5,14H,6-13H2,1H3,(H,19,23)(H,20,24)/p+1/t14-/m0/s1