[(3S)-3-oxidanylpiperidin-1-yl]-[4-[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]phenyl]methanone

Systemtic Name: [(3S)-3-oxidanylpiperidin-1-yl]-[4-[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]phenyl]methanone Openeye Name: [(3S)-3-hydroxy-1-piperidyl]-[4-[4-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]phenyl]methanone CAS Name: [(3S)-3-hydroxy-1-piperidinyl]-[4-[4-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]phenyl]methanone IUPAC Name: [(3S)-3-hydroxypiperidin-1-yl]-[4-[4-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]phenyl]methanone Traditional Name: [(3S)-3-hydroxypiperidino]-[4-[4-(4-phenylpiperazin-1-ium-1-yl)piperidino]phenyl]methanone Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCN(CC4)C5=CC=CC=C5)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCN(CC4)C5=CC=CC=C5)O

InChI

InChI=1S/C27H36N4O2/c32-26-7-4-14-31(21-26)27(33)22-8-10-24(11-9-22)28-15-12-25(13-16-28)30-19-17-29(18-20-30)23-5-2-1-3-6-23/h1-3,5-6,8-11,25-26,32H,4,7,12-21H2/p+1/t26-/m0/s1