N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanimidate

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanimidate Openeye Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanimidate CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenethyl-1-piperidin-1-iumyl)ethanimidate IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanimidate Traditional Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenethylpiperidin-1-ium-1-yl)acetimidate Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)N=C(C[NH+]2CCC(CC2)CCC3=CC=CC=C3)[O-]

Isomeric SMILES

CC1=NN=C(S1)N=C(C[NH+]2CCC(CC2)CCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H24N4OS/c1-14-20-21-18(24-14)19-17(23)13-22-11-9-16(10-12-22)8-7-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3,(H,19,21,23)