1-(2,5-dimethoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Openeye Name: 1-(2,5-dimethoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea CAS Name: 1-(2,5-dimethoxyphenyl)-3-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]urea IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Traditional Name: 1-(2,5-dimethoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)OCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)OCC[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O4/c1-27-19-10-11-21(28-2)20(16-19)24-22(26)23-17-6-8-18(9-7-17)29-15-14-25-12-4-3-5-13-25/h6-11,16H,3-5,12-15H2,1-2H3,(H2,23,24,26)/p+1