1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-4-(2-fluorophenyl)piperazin-1-ium

Systemtic Name: 1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-4-(2-fluorophenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]-4-(2-fluorophenyl)piperazin-1-ium CAS Name: 1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidinyl]-4-(2-fluorophenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]piperidin-3-yl]-4-(2-fluorophenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-[(2-butyl-1H-imidazol-3-ium-5-yl)methyl]-3-piperidyl]-4-(2-fluorophenyl)piperazin-1-ium Formula: C23H36FN5+2 MolecularWeight: 401.563843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[NH+]C=C(N1)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCCCC1=[NH+]C=C(N1)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H34FN5/c1-2-3-10-23-25-16-19(26-23)17-27-11-6-7-20(18-27)28-12-14-29(15-13-28)22-9-5-4-8-21(22)24/h4-5,8-9,16,20H,2-3,6-7,10-15,17-18H2,1H3,(H,25,26)/p+2/t20-/m0/s1