2-[[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]sulfanyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[[(11R)-6,11-dihydrobenzo[c][1]benzothiepin-11-yl]thio]ethyl-dimethyl-ammonium Formula: C18H22NS2+ MolecularWeight: 316.50398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1C2=CC=CC=C2CSC3=CC=CC=C13

Isomeric SMILES

C[NH+](C)CCS[C@@H]1C2=CC=CC=C2CSC3=CC=CC=C13

InChI

InChI=1S/C18H21NS2/c1-19(2)11-12-20-18-15-8-4-3-7-14(15)13-21-17-10-6-5-9-16(17)18/h3-10,18H,11-13H2,1-2H3/p+1/t18-/m1/s1