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

Systemtic Name: 1-[(5R)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-[(5R)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium CAS Name: 1-[(5R)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[(5R)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Traditional Name: 1-benzhydryl-4-[(5R)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-1-ium Formula: C31H31N2S+ MolecularWeight: 463.65624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4CC5=CC=CC=C5SC6=CC=CC=C46

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)[C@@H]4CC5=CC=CC=C5SC6=CC=CC=C46

InChI

InChI=1S/C31H30N2S/c1-3-11-24(12-4-1)31(25-13-5-2-6-14-25)33-21-19-32(20-22-33)28-23-26-15-7-9-17-29(26)34-30-18-10-8-16-27(28)30/h1-18,28,31H,19-23H2/p+1/t28-/m1/s1