(4-methyl-1,2,3-thiadiazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (4-methyl-1,2,3-thiadiazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (4-methylthiadiazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (4-methyl-5-thiadiazolyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (4-methylthiadiazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (4-methylthiadiazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C13H16N5OS+ MolecularWeight: 290.36404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(SN=N1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C13H15N5OS/c1-10-12(20-16-15-10)13(19)18-8-6-17(7-9-18)11-4-2-3-5-14-11/h2-5H,6-9H2,1H3/p+1