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

Systemtic Name: 2-(4-aminocarbonylpiperidin-1-ium-1-yl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]ethanimidate Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-carbamoylpiperidin-1-ium-1-yl)ethanimidate CAS Name: 2-(4-carbamoyl-1-piperidin-1-iumyl)-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]ethanimidate IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-carbamoylpiperidin-1-ium-1-yl)ethanimidate Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-(4-carbamoylpiperidin-1-ium-1-yl)acetimidate Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=NC2=NN=C(S2)CC3=CC=CC=C3)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=NC2=NN=C(S2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C17H21N5O2S/c18-16(24)13-6-8-22(9-7-13)11-14(23)19-17-21-20-15(25-17)10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H2,18,24)(H,19,21,23)