1-(3-ethanoylphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea

Systemtic Name: 1-(3-ethanoylphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Openeye Name: 1-(3-acetylphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea CAS Name: 1-(3-acetylphenyl)-3-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Traditional Name: 1-(3-acetylphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)OCC[NH+]3CCCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)OCC[NH+]3CCCCC3

InChI

InChI=1S/C22H27N3O3/c1-17(26)18-6-5-7-20(16-18)24-22(27)23-19-8-10-21(11-9-19)28-15-14-25-12-3-2-4-13-25/h5-11,16H,2-4,12-15H2,1H3,(H2,23,24,27)/p+1