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

Systemtic Name: 6-ethylidene-8-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethylidene-8-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethylidene-8-methyl-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-ethylidene-8-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethylidene-8-methyl-N-(2-pyrrolidin-1-ium-1-ylethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C23H28N3OS+ MolecularWeight: 394.55292

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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+]4CCCC4

Isomeric SMILES

CC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C23H27N3OS/c1-3-19-18-14-16(2)6-8-21(18)28-22-9-7-17(15-20(22)25-19)23(27)24-10-13-26-11-4-5-12-26/h3,6-9,14-15,25H,4-5,10-13H2,1-2H3,(H,24,27)/p+1