1-(2-methyl-2-morpholin-4-yl-propyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(2-methyl-2-morpholin-4-yl-propyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(2-methyl-2-morpholino-propyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-[2-methyl-2-(4-morpholinyl)propyl]-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]urea IUPAC Name: 1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(2-methyl-2-morpholino-propyl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]urea Formula: C22H37N4O2+ MolecularWeight: 389.55478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)N3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)NCC1=CC=C(C=C1)C[NH+]2CCCCC2)N3CCOCC3

InChI

InChI=1S/C22H36N4O2/c1-22(2,26-12-14-28-15-13-26)18-24-21(27)23-16-19-6-8-20(9-7-19)17-25-10-4-3-5-11-25/h6-9H,3-5,10-18H2,1-2H3,(H2,23,24,27)/p+1