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

Systemtic Name: 2-(6H-benzo[b][1,4]benzothiazepin-5-yl)ethyl-trimethyl-azanium Openeye Name: 2-(6H-benzo[b][1,4]benzothiazepin-5-yl)ethyl-trimethyl-ammonium CAS Name: 2-(6H-benzo[b][1,4]benzothiazepin-5-yl)ethyl-trimethylammonium IUPAC Name: 2-(6H-benzo[b][1,4]benzothiazepin-5-yl)ethyl-trimethylazanium Traditional Name: 2-(6H-benzo[b][1,4]benzothiazepin-5-yl)ethyl-trimethyl-ammonium Formula: C18H23N2S+ MolecularWeight: 299.45362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCN1CC2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

C[N+](C)(C)CCN1CC2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C18H23N2S/c1-20(2,3)13-12-19-14-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)19/h4-11H,12-14H2,1-3H3/q+1