1-(2-fluorophenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-prop-2-enyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-yl]piperazine CAS Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenylprop-2-enyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-(2-fluorophenyl)-4-[(3S)-1-[(E)-2-methyl-3-phenyl-allyl]piperidin-1-ium-3-yl]piperazine Formula: C25H33FN3+ MolecularWeight: 394.548023

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C/C(=C\C1=CC=CC=C1)/C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C25H32FN3/c1-21(18-22-8-3-2-4-9-22)19-27-13-7-10-23(20-27)28-14-16-29(17-15-28)25-12-6-5-11-24(25)26/h2-6,8-9,11-12,18,23H,7,10,13-17,19-20H2,1H3/p+1/b21-18+/t23-/m0/s1