(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanimidate

Systemtic Name: (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanimidate Openeye Name: (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanimidate CAS Name: (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenyl-1-piperazin-1-iumyl)propanimidate IUPAC Name: (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanimidate Traditional Name: (2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propionimidate Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)N=C(C(C)[NH+]2CCN(CC2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCC1=NN=C(S1)N=C([C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H23N5OS/c1-3-15-19-20-17(24-15)18-16(23)13(2)21-9-11-22(12-10-21)14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,18,20,23)/t13-/m0/s1