1-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methyl-3-phenethyl-urea

Systemtic Name: 1-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methyl-3-phenethyl-urea Openeye Name: 1-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methyl-3-phenethyl-urea CAS Name: 1-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-1-methyl-3-phenethylurea IUPAC Name: 1-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methyl-3-phenethylurea Traditional Name: 1-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1-methyl-3-phenethyl-urea Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H35N3O2/c1-27(25(29)26-16-14-21-9-4-3-5-10-21)19-22-11-8-17-28(20-22)18-15-23-12-6-7-13-24(23)30-2/h3-7,9-10,12-13,22H,8,11,14-20H2,1-2H3,(H,26,29)/p+1/t22-/m1/s1