1-(2,3-dimethylphenyl)-3-[2-(4-naphthalen-1-ylpiperazin-1-ium-1-yl)ethyl]urea

Systemtic Name: 1-(2,3-dimethylphenyl)-3-[2-(4-naphthalen-1-ylpiperazin-1-ium-1-yl)ethyl]urea Openeye Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(1-naphthyl)piperazin-1-ium-1-yl]ethyl]urea CAS Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(1-naphthalenyl)-1-piperazin-1-iumyl]ethyl]urea IUPAC Name: 1-(2,3-dimethylphenyl)-3-[2-(4-naphthalen-1-ylpiperazin-1-ium-1-yl)ethyl]urea Traditional Name: 1-(2,3-dimethylphenyl)-3-[2-[4-(1-naphthyl)piperazin-1-ium-1-yl]ethyl]urea Formula: C25H31N4O+ MolecularWeight: 403.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C25H30N4O/c1-19-7-5-11-23(20(19)2)27-25(30)26-13-14-28-15-17-29(18-16-28)24-12-6-9-21-8-3-4-10-22(21)24/h3-12H,13-18H2,1-2H3,(H2,26,27,30)/p+1