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

Systemtic Name: 1-[(5R)-1-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium Openeye Name: 1-[(5R)-1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium CAS Name: 1-[(5R)-1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium IUPAC Name: 1-[(5R)-1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium Traditional Name: 1-[(5R)-1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium Formula: C18H20ClN2S+ MolecularWeight: 331.8828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2CC3=CC=CC=C3SC4=C2C=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H]2CC3=CC=CC=C3SC4=C2C=CC=C4Cl

InChI

InChI=1S/C18H19ClN2S/c19-15-6-3-5-14-16(21-10-8-20-9-11-21)12-13-4-1-2-7-17(13)22-18(14)15/h1-7,16,20H,8-12H2/p+1/t16-/m1/s1