1-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]urea

Systemtic Name: 1-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]urea Openeye Name: 1-(5-methylisoxazol-3-yl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]urea CAS Name: 1-(5-methyl-3-isoxazolyl)-3-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]urea IUPAC Name: 1-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]urea Traditional Name: 1-(5-methylisoxazol-3-yl)-3-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]urea Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)NCC(C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C15H20N4O2S/c1-11-9-14(18-21-11)17-15(20)16-10-12(13-5-4-8-22-13)19-6-2-3-7-19/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H2,16,17,18,20)/p+1/t12-/m0/s1