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6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepin-2-ol

6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepin-2-ol

Systemtic Name:6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepin-2-ol
Openeye Name:6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepin-2-ol
CAS Name:6-(1-piperazin-4-iumyl)-2-benzo[b][1,4]benzothiazepinol
IUPAC Name:6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepin-2-ol
Traditional Name:6-piperazin-4-ium-1-ylbenzo[b][1,4]benzothiazepin-2-ol
Formula: C17H18N3OS+
MolecularWeight: 312.40932
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42


Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC3=C(C=C(C=C3)O)SC4=CC=CC=C42


InChI

InChI=1S/C17H17N3OS/c21-12-5-6-14-16(11-12)22-15-4-2-1-3-13(15)17(19-14)20-9-7-18-8-10-20/h1-6,11,18,21H,7-10H2/p+1


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