1-(2-methoxy-4-nitro-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-(2-piperidin-1-ium-1-ylethyl)thiourea Formula: C15H23N4O3S+ MolecularWeight: 339.43312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NCC[NH+]2CCCCC2

InChI

InChI=1S/C15H22N4O3S/c1-22-14-11-12(19(20)21)5-6-13(14)17-15(23)16-7-10-18-8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H2,16,17,23)/p+1