1-[(3S)-1-methylpiperidin-1-ium-3-yl]-3-[5-(3-oxidanylidene-3-phenyl-propyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-[(3S)-1-methylpiperidin-1-ium-3-yl]-3-[5-(3-oxidanylidene-3-phenyl-propyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-[(3S)-1-methylpiperidin-1-ium-3-yl]-3-[5-(3-oxo-3-phenyl-propyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-[(3S)-1-methyl-3-piperidin-1-iumyl]-3-[5-(3-oxo-3-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-[(3S)-1-methylpiperidin-1-ium-3-yl]-3-[5-(3-oxo-3-phenylpropyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-[5-(3-keto-3-phenyl-propyl)-1,3,4-thiadiazol-2-yl]-3-[(3S)-1-methylpiperidin-1-ium-3-yl]urea Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)NC(=O)NC2=NN=C(S2)CCC(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)NC(=O)NC2=NN=C(S2)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2S/c1-23-11-5-8-14(12-23)19-17(25)20-18-22-21-16(26-18)10-9-15(24)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H2,19,20,22,25)/p+1/t14-/m0/s1