1-[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperidin-1-ium

Systemtic Name: 1-[(6R)-3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperidin-1-ium Openeye Name: 1-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperidin-1-ium CAS Name: 1-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperidin-1-ium IUPAC Name: 1-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperidin-1-ium Traditional Name: 1-[(6R)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperidin-1-ium Formula: C19H21ClNS+ MolecularWeight: 330.89474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

Isomeric SMILES

C1CC[NH+](CC1)[C@@H]2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24

InChI

InChI=1S/C19H20ClNS/c20-15-8-9-18-14(12-15)13-17(21-10-4-1-5-11-21)16-6-2-3-7-19(16)22-18/h2-3,6-9,12,17H,1,4-5,10-11,13H2/p+1/t17-/m1/s1