1-[(3S)-1-[(4-ethynylphenyl)methyl]piperidin-3-yl]-4-(2-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-[(4-ethynylphenyl)methyl]piperidin-3-yl]-4-(2-fluorophenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-[(4-ethynylphenyl)methyl]-3-piperidyl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-[(4-ethynylphenyl)methyl]-3-piperidinyl]-4-(2-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-[(4-ethynylphenyl)methyl]piperidin-3-yl]-4-(2-fluorophenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-(4-ethynylbenzyl)-3-piperidyl]-4-(2-fluorophenyl)piperazin-1-ium Formula: C24H29FN3+ MolecularWeight: 378.505563

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

C#CC1=CC=C(C=C1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C24H28FN3/c1-2-20-9-11-21(12-10-20)18-26-13-5-6-22(19-26)27-14-16-28(17-15-27)24-8-4-3-7-23(24)25/h1,3-4,7-12,22H,5-6,13-19H2/p+1/t22-/m0/s1