2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]-dimethyl-ammonium CAS Name: 2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]-dimethylazanium Traditional Name: benzyl-[2-(6,11-dihydrobenzo[c][1]benzothiepin-11-yloxy)ethyl]-dimethyl-ammonium Formula: C25H28NOS+ MolecularWeight: 390.56092

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCOC1C2=CC=CC=C2CSC3=CC=CC=C13)CC4=CC=CC=C4

Isomeric SMILES

C[N+](C)(CCOC1C2=CC=CC=C2CSC3=CC=CC=C13)CC4=CC=CC=C4

InChI

InChI=1S/C25H28NOS/c1-26(2,18-20-10-4-3-5-11-20)16-17-27-25-22-13-7-6-12-21(22)19-28-24-15-9-8-14-23(24)25/h3-15,25H,16-19H2,1-2H3/q+1