1-(4-chlorophenyl)-3-[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]urea Openeye Name: 1-(4-chlorophenyl)-3-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]urea CAS Name: 1-(4-chlorophenyl)-3-[4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]urea Traditional Name: 1-(4-chlorophenyl)-3-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]urea Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H26ClN3O3/c22-16-4-6-17(7-5-16)23-21(27)24-18-8-10-20(11-9-18)28-15-19(26)14-25-12-2-1-3-13-25/h4-11,19,26H,1-3,12-15H2,(H2,23,24,27)/p+1/t19-/m0/s1