(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-(3-pyrazol-1-ylpropyl)amine Formula: C18H26FN4+ MolecularWeight: 317.424243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2F)NCCCN3C=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2F)NCCCN3C=CC=N3

InChI

InChI=1S/C18H25FN4/c19-18-8-2-1-6-16(18)14-22-11-3-7-17(15-22)20-9-4-12-23-13-5-10-21-23/h1-2,5-6,8,10,13,17,20H,3-4,7,9,11-12,14-15H2/p+1/t17-/m0/s1