2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate

Systemtic Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=NC3=NN=C(S3)C)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=NC3=NN=C(S3)C)[O-])C

InChI

InChI=1S/C17H23N5OS/c1-12-5-4-6-15(13(12)2)22-9-7-21(8-10-22)11-16(23)18-17-20-19-14(3)24-17/h4-6H,7-11H2,1-3H3,(H,18,20,23)