N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanimidate

Systemtic Name: N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanimidate Openeye Name: N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanimidate CAS Name: N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-piperidin-1-iumyl)ethanimidate IUPAC Name: N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-ylethanimidate Traditional Name: N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-piperidin-1-ium-1-yl-acetimidate Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=NC2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC(=NC2=NN=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H17N5O3S/c21-13(10-19-8-2-1-3-9-19)16-15-18-17-14(24-15)11-4-6-12(7-5-11)20(22)23/h4-7H,1-3,8-10H2,(H,16,18,21)