[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[(4-pyrimidin-2-yloxyphenyl)methyl]azanium

Systemtic Name: [(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[(4-pyrimidin-2-yloxyphenyl)methyl]azanium Openeye Name: [(3R)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-[(4-pyrimidin-2-yloxyphenyl)methyl]ammonium CAS Name: [(3R)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]-[[4-(2-pyrimidinyloxy)phenyl]methyl]ammonium IUPAC Name: [(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[(4-pyrimidin-2-yloxyphenyl)methyl]azanium Traditional Name: [(3R)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-[4-(2-pyrimidyloxy)benzyl]ammonium Formula: C23H24N5OS+ MolecularWeight: 418.53456

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]CC4=CC=C(C=C4)OC5=NC=CC=N5

Isomeric SMILES

C1C[C@H](CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]CC4=CC=C(C=C4)OC5=NC=CC=N5

InChI

InChI=1S/C23H23N5OS/c1-2-7-21-20(6-1)27-23(30-21)28-14-3-5-18(16-28)26-15-17-8-10-19(11-9-17)29-22-24-12-4-13-25-22/h1-2,4,6-13,18,26H,3,5,14-16H2/p+1/t18-/m1/s1