(2-fluoranyl-4-methoxy-phenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (2-fluoranyl-4-methoxy-phenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (2-fluoro-4-methoxy-phenyl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (2-fluoro-4-methoxyphenyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (2-fluoro-4-methoxyphenyl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (2-fluoro-4-methoxy-benzyl)-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C17H22FN4O+ MolecularWeight: 317.381183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]C2CCCN(C2)C3=NC=CC=N3)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+][C@H]2CCCN(C2)C3=NC=CC=N3)F

InChI

InChI=1S/C17H21FN4O/c1-23-15-6-5-13(16(18)10-15)11-21-14-4-2-9-22(12-14)17-19-7-3-8-20-17/h3,5-8,10,14,21H,2,4,9,11-12H2,1H3/p+1/t14-/m0/s1