(8-chloranylquinolin-2-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (8-chloranylquinolin-2-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (8-chloro-2-quinolyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (8-chloro-2-quinolinyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (8-chloroquinolin-2-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (8-chloro-2-quinolyl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C19H21ClN5+ MolecularWeight: 354.85654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=NC4=C(C=CC=C4Cl)C=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=NC4=C(C=CC=C4Cl)C=C3

InChI

InChI=1S/C19H20ClN5/c20-17-6-1-4-14-7-8-15(24-18(14)17)12-23-16-5-2-11-25(13-16)19-21-9-3-10-22-19/h1,3-4,6-10,16,23H,2,5,11-13H2/p+1/t16-/m0/s1