1-[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]azepan-1-ium

Systemtic Name: 1-[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]azepan-1-ium Openeye Name: 1-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]azepan-1-ium CAS Name: 1-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]azepan-1-ium IUPAC Name: 1-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]azepan-1-ium Traditional Name: 1-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]azepan-1-ium Formula: C20H23ClNS+ MolecularWeight: 344.92132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H]2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C20H22ClNS/c21-16-9-10-19-15(13-16)14-18(22-11-5-1-2-6-12-22)17-7-3-4-8-20(17)23-19/h3-4,7-10,13,18H,1-2,5-6,11-12,14H2/p+1/t18-/m1/s1