2-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-ium-1-yl]ethylazanium

Systemtic Name: 2-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-ium-1-yl]ethylazanium Openeye Name: 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-ium-1-yl]ethylammonium CAS Name: 2-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazin-1-iumyl]ethylammonium IUPAC Name: 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-ium-1-yl]ethylazanium Traditional Name: 2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-ium-1-yl]ethylammonium Formula: C15H23N5S+2 MolecularWeight: 305.44162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC[NH3+])C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC[NH3+])C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C15H21N5S/c16-6-7-19-8-10-20(11-9-19)15-17-14(18-21-15)12-13-4-2-1-3-5-13/h1-5H,6-12,16H2/p+2