(3S)-N-(4-fluorophenyl)-1-(quinolin-5-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-(4-fluorophenyl)-1-(quinolin-5-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-N-(4-fluorophenyl)-1-(5-quinolylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-N-(4-fluorophenyl)-1-(5-quinolinylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(4-fluorophenyl)-1-(quinolin-5-ylmethyl)piperidin-1-ium-3-amine Traditional Name: (4-fluorophenyl)-[(3S)-1-(5-quinolylmethyl)piperidin-1-ium-3-yl]amine Formula: C21H23FN3+ MolecularWeight: 336.425823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C3C=CC=NC3=CC=C2)NC4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C3C=CC=NC3=CC=C2)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3/c22-17-8-10-18(11-9-17)24-19-5-3-13-25(15-19)14-16-4-1-7-21-20(16)6-2-12-23-21/h1-2,4,6-12,19,24H,3,5,13-15H2/p+1/t19-/m0/s1