[2-(6H-benzo[b][1,4]benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-triethyl-azanium bromide

Systemtic Name: [2-(6H-benzo[b][1,4]benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-triethyl-azanium bromide Openeye Name: [2-(6H-benzo[b][1,4]benzothiazepin-5-yl)-2-oxo-ethyl]-triethyl-ammonium bromide CAS Name: [2-(6H-benzo[b][1,4]benzothiazepin-5-yl)-2-oxoethyl]-triethylammonium bromide IUPAC Name: [2-(6H-benzo[b][1,4]benzothiazepin-5-yl)-2-oxoethyl]-triethylazanium bromide Traditional Name: [2-(6H-benzo[b][1,4]benzothiazepin-5-yl)-2-keto-ethyl]-triethyl-ammonium bromide Formula: C21H27BrN2OS MolecularWeight: 435.42088

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC(=O)N1CC2=CC=CC=C2SC3=CC=CC=C31.[Br-]

Isomeric SMILES

CC[N+](CC)(CC)CC(=O)N1CC2=CC=CC=C2SC3=CC=CC=C31.[Br-]

InChI

InChI=1S/C21H27N2OS.BrH/c1-4-23(5-2,6-3)16-21(24)22-15-17-11-7-9-13-19(17)25-20-14-10-8-12-18(20)22;/h7-14H,4-6,15-16H2,1-3H3;1H/q+1;/p-1