phenethyl-(pyridin-4-ylmethyl)-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium

Systemtic Name: phenethyl-(pyridin-4-ylmethyl)-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Openeye Name: phenethyl-(4-pyridylmethyl)-[(3-pyrimidin-2-yloxyphenyl)methyl]ammonium CAS Name: phenethyl-(pyridin-4-ylmethyl)-[[3-(2-pyrimidinyloxy)phenyl]methyl]ammonium IUPAC Name: phenethyl-(pyridin-4-ylmethyl)-[(3-pyrimidin-2-yloxyphenyl)methyl]azanium Traditional Name: phenethyl-(4-pyridylmethyl)-[3-(2-pyrimidyloxy)benzyl]ammonium Formula: C25H25N4O+ MolecularWeight: 397.4922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=CC(=CC=C3)OC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CC[NH+](CC2=CC=NC=C2)CC3=CC(=CC=C3)OC4=NC=CC=N4

InChI

InChI=1S/C25H24N4O/c1-2-6-21(7-3-1)12-17-29(19-22-10-15-26-16-11-22)20-23-8-4-9-24(18-23)30-25-27-13-5-14-28-25/h1-11,13-16,18H,12,17,19-20H2/p+1