1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenoxy-propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenoxy-propan-1-one Openeye Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-phenoxy-propan-1-one CAS Name: 1-[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-phenoxy-1-propanone IUPAC Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenoxypropan-1-one Traditional Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]-3-phenoxy-propan-1-one Formula: C24H31FN3O2+ MolecularWeight: 412.520243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCOC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCOC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H30FN3O2/c25-20-8-10-21(11-9-20)26-14-16-27(17-15-26)22-5-4-13-28(19-22)24(29)12-18-30-23-6-2-1-3-7-23/h1-3,6-11,22H,4-5,12-19H2/p+1/t22-/m0/s1