2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole

Systemtic Name: 2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Openeye Name: 2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole CAS Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1,3-benzothiazole IUPAC Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,3-benzothiazole Traditional Name: 2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-1,3-benzothiazole Formula: C19H21FN3OS+ MolecularWeight: 358.452943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C19H20FN3OS/c1-24-17-7-6-14(12-15(17)20)13-22-8-10-23(11-9-22)19-21-16-4-2-3-5-18(16)25-19/h2-7,12H,8-11,13H2,1H3/p+1