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

Systemtic Name: 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-[(E)-3-(4-fluorophenyl)allyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-[(E)-3-(4-fluorophenyl)allyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C24H31FN3+ MolecularWeight: 380.521443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC=CC2=CC=C(C=C2)F)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C/C=C/C2=CC=C(C=C2)F)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H30FN3/c25-22-12-10-21(11-13-22)6-4-14-26-15-5-9-24(20-26)28-18-16-27(17-19-28)23-7-2-1-3-8-23/h1-4,6-8,10-13,24H,5,9,14-20H2/p+1/b6-4+/t24-/m0/s1