dimethyl-[2-[[(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]sulfanyl]ethyl]azanium

Systemtic Name: dimethyl-[2-[[(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]sulfanyl]ethyl]azanium Openeye Name: dimethyl-[2-[[(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]sulfanyl]ethyl]ammonium CAS Name: dimethyl-[2-[[(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]thio]ethyl]ammonium IUPAC Name: dimethyl-[2-[[(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]sulfanyl]ethyl]azanium Traditional Name: dimethyl-[2-[[(11S)-11-phenyl-6H-benzo[c][1]benzothiepin-11-yl]thio]ethyl]ammonium Formula: C24H26NS2+ MolecularWeight: 392.59994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1(C2=CC=CC=C2CSC3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCS[C@]1(C2=CC=CC=C2CSC3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C24H25NS2/c1-25(2)16-17-27-24(20-11-4-3-5-12-20)21-13-7-6-10-19(21)18-26-23-15-9-8-14-22(23)24/h3-15H,16-18H2,1-2H3/p+1/t24-/m0/s1