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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NC(=NS2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NC(=NS2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C14H17FN4S/c15-12-4-2-11(3-5-12)10-13-17-14(20-18-13)19-8-1-6-16-7-9-19/h2-5,16H,1,6-10H2/p+1