[7-[4-(5-aza-2-azoniabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]azanium

Systemtic Name: [7-[4-(5-aza-2-azoniabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]azanium Openeye Name: [7-[4-(5-aza-2-azoniabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]ammonium CAS Name: [7-[4-(5-aza-2-azoniabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-5-(4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinyl]ammonium IUPAC Name: [7-[4-(5-aza-2-azoniabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]azanium Traditional Name: [7-[4-(5-aza-2-azoniabicyclo[2.2.1]heptan-2-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]ammonium Formula: C29H34N6O+2 MolecularWeight: 482.61986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1[NH+]2CC3CC2CN3)N4C=C(C5=C4N=CN=C5[NH3+])C6=CC=C(C=C6)OC7=CC=CC=C7

Isomeric SMILES

C1CC(CCC1[NH+]2CC3CC2CN3)N4C=C(C5=C4N=CN=C5[NH3+])C6=CC=C(C=C6)OC7=CC=CC=C7

InChI

InChI=1S/C29H32N6O/c30-28-27-26(19-6-12-25(13-7-19)36-24-4-2-1-3-5-24)17-35(29(27)33-18-32-28)22-10-8-21(9-11-22)34-16-20-14-23(34)15-31-20/h1-7,12-13,17-18,20-23,31H,8-11,14-16H2,(H2,30,32,33)/p+2