8-chloranyl-6-methylidene-N-(2-morpholin-4-ium-4-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-6-methylidene-N-(2-morpholin-4-ium-4-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-methylene-N-(2-morpholin-4-ium-4-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-methylene-N-[2-(4-morpholin-4-iumyl)ethyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 8-chloro-6-methylidene-N-(2-morpholin-4-ium-4-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-methylene-N-(2-morpholin-4-ium-4-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=C(C=CC(=C2)Cl)SC3=C(N1)C=C(C=C3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

C=C1C2=C(C=CC(=C2)Cl)SC3=C(N1)C=C(C=C3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C21H22ClN3O2S/c1-14-17-13-16(22)3-5-19(17)28-20-4-2-15(12-18(20)24-14)21(26)23-6-7-25-8-10-27-11-9-25/h2-5,12-13,24H,1,6-11H2,(H,23,26)/p+1