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1-(4-phenoxyphenyl)-3-[(2R)-2-piperidin-1-ium-1-ylpropyl]urea

1-(4-phenoxyphenyl)-3-[(2R)-2-piperidin-1-ium-1-ylpropyl]urea

Systemtic Name:1-(4-phenoxyphenyl)-3-[(2R)-2-piperidin-1-ium-1-ylpropyl]urea
Openeye Name:1-(4-phenoxyphenyl)-3-[(2R)-2-piperidin-1-ium-1-ylpropyl]urea
CAS Name:1-(4-phenoxyphenyl)-3-[(2R)-2-(1-piperidin-1-iumyl)propyl]urea
IUPAC Name:1-(4-phenoxyphenyl)-3-[(2R)-2-piperidin-1-ium-1-ylpropyl]urea
Traditional Name:1-(4-phenoxyphenyl)-3-[(2R)-2-piperidin-1-ium-1-ylpropyl]urea
Formula: C21H28N3O2+
MolecularWeight: 354.46592
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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCCCC3


Isomeric SMILES

C[C@H](CNC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)[NH+]3CCCCC3


InChI

InChI=1S/C21H27N3O2/c1-17(24-14-6-3-7-15-24)16-22-21(25)23-18-10-12-20(13-11-18)26-19-8-4-2-5-9-19/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3,(H2,22,23,25)/p+1/t17-/m1/s1


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