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

Systemtic Name: 6-ethylidene-8-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethylidene-8-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethylidene-8-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-ethylidene-8-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethylidene-8-methyl-N-(2-morpholin-4-ium-4-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-3-19-18-14-16(2)4-6-21(18)29-22-7-5-17(15-20(22)25-19)23(27)24-8-9-26-10-12-28-13-11-26/h3-7,14-15,25H,8-13H2,1-2H3,(H,24,27)/p+1