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

Systemtic Name: (3S)-N-(4-fluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-fluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(4-fluorophenyl)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(4-fluorophenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (4-fluorophenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C16H22FN4+ MolecularWeight: 289.371083

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)NC3=CC=C(C=C3)F

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)F

InChI

InChI=1S/C16H21FN4/c1-20-10-13(9-18-20)11-21-8-2-3-16(12-21)19-15-6-4-14(17)5-7-15/h4-7,9-10,16,19H,2-3,8,11-12H2,1H3/p+1/t16-/m0/s1