2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-fluorophenyl)-1,3-thiazole

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-fluorophenyl)-1,3-thiazole Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-fluorophenyl)thiazole CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-(4-fluorophenyl)thiazole IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-(4-fluorophenyl)-1,3-thiazole Traditional Name: 4-(4-fluorophenyl)-2-(4-piperonylpiperazin-4-ium-1-yl)thiazole Formula: C21H21FN3O2S+ MolecularWeight: 398.473743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=CS4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=CS4)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H20FN3O2S/c22-17-4-2-16(3-5-17)18-13-28-21(23-18)25-9-7-24(8-10-25)12-15-1-6-19-20(11-15)27-14-26-19/h1-6,11,13H,7-10,12,14H2/p+1