4-methyl-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-methyl-N-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-methyl-N-(5-methyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-methyl-N-(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)piperazin-4-ium-1-carboxamide Traditional Name: N-(6-keto-5-methyl-benzo[b][1,4]benzothiazepin-3-yl)-4-methyl-piperazin-4-ium-1-carboxamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C

InChI

InChI=1S/C20H22N4O2S/c1-22-9-11-24(12-10-22)20(26)21-14-7-8-18-16(13-14)23(2)19(25)15-5-3-4-6-17(15)27-18/h3-8,13H,9-12H2,1-2H3,(H,21,26)/p+1