(6R)-6-piperazin-4-ium-1-yl-5,6-dihydrobenzo[b][1,4]benzothiazepine

Systemtic Name: (6R)-6-piperazin-4-ium-1-yl-5,6-dihydrobenzo[b][1,4]benzothiazepine Openeye Name: (6R)-6-piperazin-4-ium-1-yl-5,6-dihydrobenzo[b][1,4]benzothiazepine CAS Name: (6R)-6-(1-piperazin-4-iumyl)-5,6-dihydrobenzo[b][1,4]benzothiazepine IUPAC Name: (6R)-6-piperazin-4-ium-1-yl-5,6-dihydrobenzo[b][1,4]benzothiazepine Traditional Name: (6R)-6-piperazin-4-ium-1-yl-5,6-dihydrobenzo[b][1,4]benzothiazepine Formula: C17H20N3S+ MolecularWeight: 298.4258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2C3=CC=CC=C3SC4=CC=CC=C4N2

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H]2C3=CC=CC=C3SC4=CC=CC=C4N2

InChI

InChI=1S/C17H19N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,17-19H,9-12H2/p+1/t17-/m1/s1