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

Systemtic Name: 1-(3-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Openeye Name: 1-(3-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea CAS Name: 1-(3-methoxyphenyl)-3-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]urea IUPAC Name: 1-(3-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Traditional Name: 1-(3-methoxyphenyl)-3-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]urea Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-26-20-7-5-6-18(16-20)23-21(25)22-17-8-10-19(11-9-17)27-15-14-24-12-3-2-4-13-24/h5-11,16H,2-4,12-15H2,1H3,(H2,22,23,25)/p+1