N-tert-butyl-2-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN2CCCSC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)CN2CCCSC3=CC=CC=C32

InChI

InChI=1S/C21H32N4O2S/c1-21(2,3)22-19(26)15-23-10-12-24(13-11-23)20(27)16-25-9-6-14-28-18-8-5-4-7-17(18)25/h4-5,7-8H,6,9-16H2,1-3H3,(H,22,26)/p+1