3-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(1R)-1-methyl-2-phenoxy-ethyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(2R)-1-phenoxypropan-2-yl]-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[(1R)-1-methyl-2-phenoxy-ethyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C27H38N3O2+ MolecularWeight: 436.60952

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](COC1=CC=CC=C1)[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H37N3O2/c1-23(22-32-26-10-6-3-7-11-26)28-16-14-24(15-17-28)12-13-27(31)30-20-18-29(19-21-30)25-8-4-2-5-9-25/h2-11,23-24H,12-22H2,1H3/p+1/t23-/m1/s1