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

Systemtic Name: 1-[(5S)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium Openeye Name: 1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium CAS Name: 1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium IUPAC Name: 1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium Traditional Name: 1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazin-4-ium Formula: C18H20ClN2S+ MolecularWeight: 331.8828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1CN(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+1/t16-/m0/s1