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

Systemtic Name: (4-methyl-1,2,3-thiadiazol-5-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methylthiadiazol-5-yl)methanone CAS Name: (4-methyl-5-thiadiazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methylthiadiazol-5-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methylthiadiazol-5-yl)methanone Formula: C15H19N4OS+ MolecularWeight: 303.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4OS/c1-12-14(21-17-16-12)15(20)19-9-7-18(8-10-19)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3/p+1