1-(5-methyl-1,2-oxazol-3-yl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(5-methyl-1,2-oxazol-3-yl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(5-methylisoxazol-3-yl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-(5-methyl-3-isoxazolyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]urea IUPAC Name: 1-(5-methyl-1,2-oxazol-3-yl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(5-methylisoxazol-3-yl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]urea Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C18H24N4O2/c1-14-11-17(21-24-14)20-18(23)19-12-15-5-7-16(8-6-15)13-22-9-3-2-4-10-22/h5-8,11H,2-4,9-10,12-13H2,1H3,(H2,19,20,21,23)/p+1