[5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [5-(1,3-benzothiazol-2-yl)-2-furyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [5-(1,3-benzothiazol-2-yl)-2-furanyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [5-(1,3-benzothiazol-2-yl)furan-2-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [5-(1,3-benzothiazol-2-yl)-2-furyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H19N4O2S+ MolecularWeight: 391.46616

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N4O2S/c26-21(25-13-11-24(12-14-25)19-7-3-4-10-22-19)17-9-8-16(27-17)20-23-15-5-1-2-6-18(15)28-20/h1-10H,11-14H2/p+1