[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoranyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoranyl-3-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoro-3-nitro-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(4-fluoro-3-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoro-3-nitrophenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(4-fluoro-3-nitro-phenyl)methanone Formula: C19H18FN4O3S+ MolecularWeight: 401.434623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)C4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C19H17FN4O3S/c20-14-6-5-13(11-16(14)24(26)27)19(25)23-9-7-22(8-10-23)12-18-21-15-3-1-2-4-17(15)28-18/h1-6,11H,7-10,12H2/p+1