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

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanimidate Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetimidate Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=NN=C(S1)N=C(C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H25N5OS/c1-17-24-25-22(29-17)23-20(28)16-26-12-14-27(15-13-26)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,21H,12-16H2,1H3,(H,23,25,28)