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

Systemtic Name: 1-(2,5-dimethylphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Openeye Name: 1-(2,5-dimethylphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea CAS Name: 1-(2,5-dimethylphenyl)-3-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]urea IUPAC Name: 1-(2,5-dimethylphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Traditional Name: 1-(2,5-dimethylphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)NC2=CC=C(C=C2)OCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)NC2=CC=C(C=C2)OCC[NH+]3CCCCC3

InChI

InChI=1S/C22H29N3O2/c1-17-6-7-18(2)21(16-17)24-22(26)23-19-8-10-20(11-9-19)27-15-14-25-12-4-3-5-13-25/h6-11,16H,3-5,12-15H2,1-2H3,(H2,23,24,26)/p+1