(5-chloranyl-2-oxidanyl-phenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (5-chloro-2-hydroxy-phenyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (5-chloro-2-hydroxyphenyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (5-chloro-2-hydroxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (5-chloro-2-hydroxy-benzyl)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O/c17-13-4-5-15(22)12(9-13)10-20-14-3-1-8-21(11-14)16-18-6-2-7-19-16/h2,4-7,9,14,20,22H,1,3,8,10-11H2/p+1/t14-/m0/s1