1-(2-methyl-4-nitro-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-(2-methyl-4-nitro-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)urea Openeye Name: 1-(2-methyl-4-nitro-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)urea CAS Name: 1-(2-methyl-4-nitrophenyl)-3-[2-(1-piperidin-1-iumyl)ethyl]urea IUPAC Name: 1-(2-methyl-4-nitrophenyl)-3-(2-piperidin-1-ium-1-ylethyl)urea Traditional Name: 1-(2-methyl-4-nitro-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)urea Formula: C15H23N4O3+ MolecularWeight: 307.36812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCC[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCC[NH+]2CCCCC2

InChI

InChI=1S/C15H22N4O3/c1-12-11-13(19(21)22)5-6-14(12)17-15(20)16-7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H2,16,17,20)/p+1