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

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-fluoranyl-4-methoxy-phenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-fluoro-4-methoxy-phenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-(2-fluoro-4-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-fluoro-4-methoxyphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-(2-fluoro-4-methoxy-phenyl)methanone Formula: C20H21FN3O2S+ MolecularWeight: 386.463043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C20H20FN3O2S/c1-26-14-6-7-15(16(21)12-14)20(25)24-10-8-23(9-11-24)13-19-22-17-4-2-3-5-18(17)27-19/h2-7,12H,8-11,13H2,1H3/p+1