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

Systemtic Name: (3S)-N-(3-fluorophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(3-fluorophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(3-fluorophenyl)-1-[(1-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(3-fluorophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: (3-fluorophenyl)-[(3S)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C21H24FN4+ MolecularWeight: 351.440463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN(N=C2)C3=CC=CC=C3)NC4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN(N=C2)C3=CC=CC=C3)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H23FN4/c22-18-6-4-7-19(12-18)24-20-8-5-11-25(16-20)14-17-13-23-26(15-17)21-9-2-1-3-10-21/h1-4,6-7,9-10,12-13,15,20,24H,5,8,11,14,16H2/p+1/t20-/m0/s1