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

Systemtic Name: (2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanimidate Openeye Name: (2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanimidate CAS Name: (2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenyl-1-piperazin-1-iumyl)propanimidate IUPAC Name: (2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propanimidate Traditional Name: (2S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylpiperazin-1-ium-1-yl)propionimidate Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS/c1-12(15(22)17-16-19-18-13(2)23-16)20-8-10-21(11-9-20)14-6-4-3-5-7-14/h3-7,12H,8-11H2,1-2H3,(H,17,19,22)/t12-/m0/s1