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

Systemtic Name: 1-[(5R)-1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium Openeye Name: 1-[(5R)-1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium CAS Name: 1-[(5R)-1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium IUPAC Name: 1-[(5R)-1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium Traditional Name: 1-[(5R)-1-ethyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium Formula: C20H25N2S+ MolecularWeight: 325.4909

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1SC3=CC=CC=C3CC2N4CC[NH2+]CC4

Isomeric SMILES

CCC1=CC=CC2=C1SC3=CC=CC=C3C[C@H]2N4CC[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+1/t18-/m1/s1