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

Systemtic Name: 2-(6H-benzo[b][1,4]benzothiazepin-5-yl)ethyl-trimethyl-azanium iodide Openeye Name: 2-(6H-benzo[b][1,4]benzothiazepin-5-yl)ethyl-trimethyl-ammonium iodide CAS Name: 2-(6H-benzo[b][1,4]benzothiazepin-5-yl)ethyl-trimethylammonium iodide IUPAC Name: 2-(6H-benzo[b][1,4]benzothiazepin-5-yl)ethyl-trimethylazanium iodide Traditional Name: 2-(6H-benzo[b][1,4]benzothiazepin-5-yl)ethyl-trimethyl-ammonium iodide Formula: C18H23IN2S MolecularWeight: 426.35809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N2S.HI/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;1H/q+1;/p-1