N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H26N4O2S/c1-2-25-10-12-26(13-11-25)18-6-4-17(5-7-18)23-22(28)16-3-8-20-19(15-16)24-21(27)9-14-29-20/h3-8,15H,2,9-14H2,1H3,(H,23,28)(H,24,27)/p+1