1-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(4-nitrophenyl)urea

Systemtic Name: 1-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(4-nitrophenyl)urea Openeye Name: 1-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(4-nitrophenyl)urea CAS Name: 1-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-3-(4-nitrophenyl)urea Traditional Name: 1-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-3-(4-nitrophenyl)urea Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCCCC2

Isomeric SMILES

CC(C)(CNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCCCC2

InChI

InChI=1S/C16H24N4O3/c1-16(2,19-10-4-3-5-11-19)12-17-15(21)18-13-6-8-14(9-7-13)20(22)23/h6-9H,3-5,10-12H2,1-2H3,(H2,17,18,21)/p+1