[(1S,2S)-1-acetyloxy-1-phenyl-propan-2-yl]-methyl-pentyl-propyl-azanium

Systemtic Name: [(1S,2S)-1-acetyloxy-1-phenyl-propan-2-yl]-methyl-pentyl-propyl-azanium Openeye Name: [(1S,2S)-2-acetoxy-1-methyl-2-phenyl-ethyl]-methyl-pentyl-propyl-ammonium CAS Name: [(1S,2S)-1-acetyloxy-1-phenylpropan-2-yl]-methyl-pentyl-propylammonium IUPAC Name: [(1S,2S)-1-acetyloxy-1-phenylpropan-2-yl]-methyl-pentyl-propylazanium Traditional Name: [(1S,2S)-2-acetoxy-1-methyl-2-phenyl-ethyl]-amyl-methyl-propyl-ammonium Formula: C20H34NO2+ MolecularWeight: 320.48946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(CCC)C(C)C(C1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CCCCC[N+](C)(CCC)[C@@H](C)[C@H](C1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C20H34NO2/c1-6-8-12-16-21(5,15-7-2)17(3)20(23-18(4)22)19-13-10-9-11-14-19/h9-11,13-14,17,20H,6-8,12,15-16H2,1-5H3/q+1/t17-,20+,21?/m0/s1