2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4H-3,1-benzothiazine

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4H-3,1-benzothiazine Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4H-3,1-benzothiazine CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-4H-3,1-benzothiazine IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-4H-3,1-benzothiazine Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazino)-4H-3,1-benzothiazine Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC4=CC=CC=C4CS3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NC4=CC=CC=C4CS3

InChI

InChI=1S/C17H18N4S/c1-2-6-15-14(5-1)13-22-17(19-15)21-11-9-20(10-12-21)16-7-3-4-8-18-16/h1-8H,9-13H2/p+1