(4-pyrimidin-2-yloxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (4-pyrimidin-2-yloxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (4-pyrimidin-2-yloxyphenyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [4-(2-pyrimidinyloxy)phenyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (4-pyrimidin-2-yloxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [4-(2-pyrimidyloxy)benzyl]-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C20H23N6O+ MolecularWeight: 363.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C20H22N6O/c1-4-17(15-26(13-1)19-21-9-2-10-22-19)25-14-16-5-7-18(8-6-16)27-20-23-11-3-12-24-20/h2-3,5-12,17,25H,1,4,13-15H2/p+1/t17-/m0/s1