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

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methyl-1,2,3-thiadiazol-5-yl)methanone Openeye Name: (4-methylthiadiazol-5-yl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-(4-methyl-5-thiadiazolyl)methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-methylthiadiazol-5-yl)methanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-(4-methylthiadiazol-5-yl)methanone Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C(N=NS3)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=C(N=NS3)C

InChI

InChI=1S/C16H20N4OS/c1-12-4-3-5-14(10-12)11-19-6-8-20(9-7-19)16(21)15-13(2)17-18-22-15/h3-5,10H,6-9,11H2,1-2H3/p+1