1-(2-methyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

Systemtic Name: 1-(2-methyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea Openeye Name: 1-(1,1-dimethyl-2-pyrrolidin-1-ium-1-yl-ethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea CAS Name: 1-[2-methyl-1-(1-pyrrolidin-1-iumyl)propan-2-yl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea IUPAC Name: 1-(2-methyl-1-pyrrolidin-1-ium-1-ylpropan-2-yl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea Traditional Name: 1-(1,1-dimethyl-2-pyrrolidin-1-ium-1-yl-ethyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCCC1)NC(=O)NC2=NC(=NS2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C[NH+]1CCCC1)NC(=O)NC2=NC(=NS2)C3=CC=CC=C3

InChI

InChI=1S/C17H23N5OS/c1-17(2,12-22-10-6-7-11-22)20-15(23)19-16-18-14(21-24-16)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H2,18,19,20,21,23)/p+1