1,3-benzothiazol-6-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: 1,3-benzothiazol-6-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: 1,3-benzothiazol-6-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: 1,3-benzothiazol-6-yl-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: 1,3-benzothiazol-6-yl-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C17H17N4OS+ MolecularWeight: 325.40808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C17H16N4OS/c22-17(13-4-5-14-15(11-13)23-12-19-14)21-9-7-20(8-10-21)16-3-1-2-6-18-16/h1-6,11-12H,7-10H2/p+1