(3S,4S)-1-[(2-iodanylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)piperidin-4-ol

Systemtic Name: (3S,4S)-1-[(2-iodanylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)piperidin-4-ol Openeye Name: (3S,4S)-1-[(2-iodanylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)piperidin-4-ol CAS Name: (3S,4S)-1-[(2-iodanylphenyl)methyl]-3-(4-phenyl-1-piperazinyl)-4-piperidinol IUPAC Name: (3S,4S)-1-[(2-iodanylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)piperidin-4-ol Traditional Name: (3S,4S)-1-(2-iodanylbenzyl)-3-(4-phenylpiperazino)piperidin-4-ol Formula: C22H28IN3O MolecularWeight: 475.381844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4I

Isomeric SMILES

C1CN(C[C@@H]([C@H]1O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4[125I]

InChI

InChI=1S/C22H28IN3O/c23-20-9-5-4-6-18(20)16-24-11-10-22(27)21(17-24)26-14-12-25(13-15-26)19-7-2-1-3-8-19/h1-9,21-22,27H,10-17H2/t21-,22-/m0/s1/i23-2