2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-1,3,4-thiadiazole

Systemtic Name: 2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-1,3,4-thiadiazole Openeye Name: 2-phenyl-5-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-1,3,4-thiadiazole CAS Name: 2-phenyl-5-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-1,3,4-thiadiazole IUPAC Name: 2-phenyl-5-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-1,3,4-thiadiazole Traditional Name: 2-phenyl-5-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-1,3,4-thiadiazole Formula: C18H20N5S+ MolecularWeight: 338.4499

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=NN=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=NN=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5S/c1-2-6-16(7-3-1)17-20-21-18(24-17)23-11-9-22(10-12-23)14-15-5-4-8-19-13-15/h1-8,13H,9-12,14H2/p+1