[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-1,2,3-thiadiazol-5-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methyl-1,2,3-thiadiazol-5-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methylthiadiazol-5-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(4-methyl-5-thiadiazolyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(4-methylthiadiazol-5-yl)methanone Traditional Name: (4-methylthiadiazol-5-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C16H19N4O3S+ MolecularWeight: 347.41206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SN=N1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H18N4O3S/c1-11-15(24-18-17-11)16(21)20-6-4-19(5-7-20)9-12-2-3-13-14(8-12)23-10-22-13/h2-3,8H,4-7,9-10H2,1H3/p+1