1-[(5R)-1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium

Systemtic Name: 1-[(5R)-1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium Openeye Name: 1-[(5R)-1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium CAS Name: 1-[(5R)-1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium IUPAC Name: 1-[(5R)-1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium Traditional Name: 1-[(5R)-1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium Formula: C20H26N2S+2 MolecularWeight: 326.49884

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1SC3=CC=CC=C3CC2[NH+]4CC[NH2+]CC4

Isomeric SMILES

CCC1=CC=CC2=C1SC3=CC=CC=C3C[C@H]2[NH+]4CC[NH2+]CC4

InChI

InChI=1S/C20H24N2S/c1-2-15-7-5-8-17-18(22-12-10-21-11-13-22)14-16-6-3-4-9-19(16)23-20(15)17/h3-9,18,21H,2,10-14H2,1H3/p+2/t18-/m1/s1