1-(1-methylpiperidin-1-ium-4-yl)-3-(3-nitrophenyl)urea

Systemtic Name: 1-(1-methylpiperidin-1-ium-4-yl)-3-(3-nitrophenyl)urea Openeye Name: 1-(1-methylpiperidin-1-ium-4-yl)-3-(3-nitrophenyl)urea CAS Name: 1-(1-methyl-4-piperidin-1-iumyl)-3-(3-nitrophenyl)urea IUPAC Name: 1-(1-methylpiperidin-1-ium-4-yl)-3-(3-nitrophenyl)urea Traditional Name: 1-(1-methylpiperidin-1-ium-4-yl)-3-(3-nitrophenyl)urea Formula: C13H19N4O3+ MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O3/c1-16-7-5-10(6-8-16)14-13(18)15-11-3-2-4-12(9-11)17(19)20/h2-4,9-10H,5-8H2,1H3,(H2,14,15,18)/p+1