3-[(4-chlorophenyl)methyl]-5-piperazin-4-ium-1-yl-1,2,4-thiadiazole

Systemtic Name: 3-[(4-chlorophenyl)methyl]-5-piperazin-4-ium-1-yl-1,2,4-thiadiazole Openeye Name: 3-[(4-chlorophenyl)methyl]-5-piperazin-4-ium-1-yl-1,2,4-thiadiazole CAS Name: 3-[(4-chlorophenyl)methyl]-5-(1-piperazin-4-iumyl)-1,2,4-thiadiazole IUPAC Name: 3-[(4-chlorophenyl)methyl]-5-piperazin-4-ium-1-yl-1,2,4-thiadiazole Traditional Name: 3-(4-chlorobenzyl)-5-piperazin-4-ium-1-yl-1,2,4-thiadiazole Formula: C13H16ClN4S+ MolecularWeight: 295.81094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H15ClN4S/c14-11-3-1-10(2-4-11)9-12-16-13(19-17-12)18-7-5-15-6-8-18/h1-4,15H,5-9H2/p+1