3-(2-ethylphenyl)-1-(phenylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea

Systemtic Name: 3-(2-ethylphenyl)-1-(phenylmethyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea Openeye Name: 1-benzyl-3-(2-ethylphenyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea CAS Name: 3-(2-ethylphenyl)-1-(phenylmethyl)-1-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)urea IUPAC Name: 1-benzyl-3-(2-ethylphenyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea Traditional Name: 1-benzyl-3-(2-ethylphenyl)-1-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N(CC2=CC=CC=C2)C3CC([NH2+]C(C3)(C)C)(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N(CC2=CC=CC=C2)C3CC([NH2+]C(C3)(C)C)(C)C

InChI

InChI=1S/C25H35N3O/c1-6-20-14-10-11-15-22(20)26-23(29)28(18-19-12-8-7-9-13-19)21-16-24(2,3)27-25(4,5)17-21/h7-15,21,27H,6,16-18H2,1-5H3,(H,26,29)/p+1