N-[(1R,2R)-3-(4-methylpiperazin-1-yl)-1-oxidanyl-1-phenyl-propan-2-yl]hexadecanamide

Systemtic Name: N-[(1R,2R)-3-(4-methylpiperazin-1-yl)-1-oxidanyl-1-phenyl-propan-2-yl]hexadecanamide Openeye Name: N-[(1R,2R)-2-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]-2-phenyl-ethyl]hexadecanamide CAS Name: N-[(1R,2R)-1-hydroxy-3-(4-methyl-1-piperazinyl)-1-phenylpropan-2-yl]hexadecanamide IUPAC Name: N-[(1R,2R)-1-hydroxy-3-(4-methylpiperazin-1-yl)-1-phenylpropan-2-yl]hexadecanamide Traditional Name: N-[(1R,2R)-2-hydroxy-1-[(4-methylpiperazino)methyl]-2-phenyl-ethyl]palmitamide Formula: C30H53N3O2 MolecularWeight: 487.76072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CN1CCN(CC1)C)C(C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCN(CC1)C)[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C30H53N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-29(34)31-28(26-33-24-22-32(2)23-25-33)30(35)27-19-16-15-17-20-27/h15-17,19-20,28,30,35H,3-14,18,21-26H2,1-2H3,(H,31,34)/t28-,30-/m1/s1