1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenyl-indol-1-ium-1-yl]urea

Systemtic Name: 1-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenyl-indol-1-ium-1-yl]urea Openeye Name: [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenyl-indol-1-ium-1-yl]urea CAS Name: [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenyl-1-indol-1-iumyl]urea IUPAC Name: [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenylindol-1-ium-1-yl]urea Traditional Name: [1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenyl-indol-1-ium-1-yl]urea Formula: C23H27N4O+ MolecularWeight: 375.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)[N+]3(C=C(C4=CC=CC=C43)C5=CC=CC=C5)NC(=O)N

Isomeric SMILES

CN1C2CCC1CC(C2)[N+]3(C=C(C4=CC=CC=C43)C5=CC=CC=C5)NC(=O)N

InChI

InChI=1S/C23H26N4O/c1-26-17-11-12-18(26)14-19(13-17)27(25-23(24)28)15-21(16-7-3-2-4-8-16)20-9-5-6-10-22(20)27/h2-10,15,17-19H,11-14H2,1H3,(H2-,24,25,28)/p+1