1-(3,5-dimethylphenyl)-3-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]urea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]urea Openeye Name: 1-(3,5-dimethylphenyl)-3-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]urea CAS Name: 1-(3,5-dimethylphenyl)-3-[(2R)-1-(1-piperidin-1-iumyl)propan-2-yl]urea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl]urea Traditional Name: 1-(3,5-dimethylphenyl)-3-[(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl]urea Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NC(C)C[NH+]2CCCCC2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)N[C@H](C)C[NH+]2CCCCC2)C

InChI

InChI=1S/C17H27N3O/c1-13-9-14(2)11-16(10-13)19-17(21)18-15(3)12-20-7-5-4-6-8-20/h9-11,15H,4-8,12H2,1-3H3,(H2,18,19,21)/p+1/t15-/m1/s1