6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepine

Systemtic Name: 6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepine Openeye Name: 6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepine CAS Name: 6-(1-piperazin-4-iumyl)benzo[b][1,4]benzothiazepine IUPAC Name: 6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepine Traditional Name: 6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepine Formula: C17H18N3S+ MolecularWeight: 296.40992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C17H17N3S/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/h1-8,18H,9-12H2/p+1