[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-bromanylfuran-2-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-bromanylfuran-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-bromo-2-furyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(5-bromo-2-furanyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-bromofuran-2-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(5-bromo-2-furyl)methanone Formula: C17H17BrN3O2S+ MolecularWeight: 407.30478

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(O4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C17H16BrN3O2S/c18-15-6-5-13(23-15)17(22)21-9-7-20(8-10-21)11-16-19-12-3-1-2-4-14(12)24-16/h1-6H,7-11H2/p+1