phosphoric acid; 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine

Systemtic Name: phosphoric acid; 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine Openeye Name: phosphoric acid; 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine CAS Name: phosphoric acid; 6-(1-piperazinyl)benzo[b][1,4]benzothiazepine IUPAC Name: phosphoric acid; 6-piperazin-1-ylbenzo[b][1,4]benzothiazepine Traditional Name: phosphoric acid; 6-piperazinobenzo[b][1,4]benzothiazepine Formula: C17H20N3O4PS MolecularWeight: 393.397161

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.OP(=O)(O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3SC4=CC=CC=C42.OP(=O)(O)O

InChI

InChI=1S/C17H17N3S.H3O4P/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;1-5(2,3)4/h1-8,18H,9-12H2;(H3,1,2,3,4)