1-[(6R)-3-chloranyl-10-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine-1,4-diium

Systemtic Name: 1-[(6R)-3-chloranyl-10-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine-1,4-diium Openeye Name: 1-[(6R)-3-chloro-10-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine-1,4-diium CAS Name: 1-[(6R)-3-chloro-10-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine-1,4-diium IUPAC Name: 1-[(6R)-3-chloro-10-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine-1,4-diium Traditional Name: 1-[(6R)-3-chloro-10-methyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazine-1,4-diium Formula: C19H23ClN2S+2 MolecularWeight: 346.91732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SC3=C(CC2[NH+]4CC[NH2+]CC4)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC2=C1SC3=C(C[C@H]2[NH+]4CC[NH2+]CC4)C=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2S/c1-13-3-2-4-16-17(22-9-7-21-8-10-22)12-14-11-15(20)5-6-18(14)23-19(13)16/h2-6,11,17,21H,7-10,12H2,1H3/p+2/t17-/m1/s1