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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2CC3=CC=CC=C3SC4=C2C(=CC=C4)Cl

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@@H]2CC3=CC=CC=C3SC4=C2C(=CC=C4)Cl

InChI

InChI=1S/C19H21ClN2S/c1-21-9-11-22(12-10-21)16-13-14-5-2-3-7-17(14)23-18-8-4-6-15(20)19(16)18/h2-8,16H,9-13H2,1H3/p+2/t16-/m1/s1