3-[(4-fluorophenyl)methyl]-5-[(3S)-3-methylpiperazin-4-ium-1-yl]-1,2,4-thiadiazole

Systemtic Name: 3-[(4-fluorophenyl)methyl]-5-[(3S)-3-methylpiperazin-4-ium-1-yl]-1,2,4-thiadiazole Openeye Name: 3-[(4-fluorophenyl)methyl]-5-[(3S)-3-methylpiperazin-4-ium-1-yl]-1,2,4-thiadiazole CAS Name: 3-[(4-fluorophenyl)methyl]-5-[(3S)-3-methyl-1-piperazin-4-iumyl]-1,2,4-thiadiazole IUPAC Name: 3-[(4-fluorophenyl)methyl]-5-[(3S)-3-methylpiperazin-4-ium-1-yl]-1,2,4-thiadiazole Traditional Name: 3-(4-fluorobenzyl)-5-[(3S)-3-methylpiperazin-4-ium-1-yl]-1,2,4-thiadiazole Formula: C14H18FN4S+ MolecularWeight: 293.382923

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=NC(=NS2)CC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=NC(=NS2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C14H17FN4S/c1-10-9-19(7-6-16-10)14-17-13(18-20-14)8-11-2-4-12(15)5-3-11/h2-5,10,16H,6-9H2,1H3/p+1/t10-/m0/s1