1-(diphenylmethyl)-4-[(5R)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium

Systemtic Name: 1-(diphenylmethyl)-4-[(5R)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Openeye Name: 1-benzhydryl-4-[(5R)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-[(5R)-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium IUPAC Name: 1-benzhydryl-4-[(5R)-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Traditional Name: 1-benzhydryl-4-[(5R)-3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Formula: C32H33N2S2+ MolecularWeight: 509.74782

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=CC=CC=C3C[C@H]2N4CC[NH+](CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H32N2S2/c1-35-27-16-17-31-28(23-27)29(22-26-14-8-9-15-30(26)36-31)33-18-20-34(21-19-33)32(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-17,23,29,32H,18-22H2,1H3/p+1/t29-/m1/s1