(3S)-N-(4-fluorophenyl)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(4-fluorophenyl)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-fluorophenyl)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(4-fluorophenyl)-1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(4-fluorophenyl)-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (4-fluorophenyl)-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C22H26FN4+ MolecularWeight: 365.467043

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCCC(C3)NC4=CC=C(C=C4)F

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN4/c1-26-14-18(22(25-26)17-6-3-2-4-7-17)15-27-13-5-8-21(16-27)24-20-11-9-19(23)10-12-20/h2-4,6-7,9-12,14,21,24H,5,8,13,15-16H2,1H3/p+1/t21-/m0/s1