[3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [3-(1,3-benzothiazol-2-yl)-2-pyrazinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [3-(1,3-benzothiazol-2-yl)pyrazin-2-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H19N6OS+ MolecularWeight: 403.48016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N6OS/c28-21(27-13-11-26(12-14-27)17-7-3-4-8-22-17)19-18(23-9-10-24-19)20-25-15-5-1-2-6-16(15)29-20/h1-10H,11-14H2/p+1