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

Systemtic Name: 1-[(5S)-1-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium Openeye Name: 1-[(5S)-1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium CAS Name: 1-[(5S)-1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium IUPAC Name: 1-[(5S)-1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium Traditional Name: 1-[(5S)-1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium Formula: C18H21ClN2S+2 MolecularWeight: 332.89074

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)C2CC3=CC=CC=C3SC4=C2C=CC=C4Cl

Isomeric SMILES

C1C[NH+](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+2/t16-/m0/s1