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

Systemtic Name: 1-[(5S)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium Openeye Name: 1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium CAS Name: 1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium IUPAC Name: 1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine-1,4-diium Traditional Name: 1-[(5S)-3-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=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CC[NH2+]1)[C@H]2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C18H19ClN2S/c19-14-5-6-18-15(12-14)16(21-9-7-20-8-10-21)11-13-3-1-2-4-17(13)22-18/h1-6,12,16,20H,7-11H2/p+2/t16-/m0/s1