1-[4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenyl]urea

Systemtic Name: 1-[4-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenyl]urea Openeye Name: [4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenyl]urea CAS Name: [4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]phenyl]urea IUPAC Name: [4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]phenyl]urea Traditional Name: [4-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]phenyl]urea Formula: C17H18ClF3N5O+ MolecularWeight: 400.80593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)N)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)N)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C17H17ClF3N5O/c18-14-9-11(17(19,20)21)10-23-15(14)26-7-5-25(6-8-26)13-3-1-12(2-4-13)24-16(22)27/h1-4,9-10H,5-8H2,(H3,22,24,27)/p+1