[2,2-dimethyl-3-[(2R)-2-(phenylmethyl)pentanoyl]oxy-propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[(2R)-2-(phenylmethyl)pentanoyl]oxy-propyl]-dimethyl-azanium Openeye Name: [3-[(2R)-2-benzylpentanoyl]oxy-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[(2R)-1-oxo-2-(phenylmethyl)pentoxy]propyl]-dimethylammonium IUPAC Name: [3-[(2R)-2-benzylpentanoyl]oxy-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[(2R)-2-benzylpentanoyl]oxy-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C19H32NO2+ MolecularWeight: 306.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=CC=C1)C(=O)OCC(C)(C)C[NH+](C)C

Isomeric SMILES

CCC[C@H](CC1=CC=CC=C1)C(=O)OCC(C)(C)C[NH+](C)C

InChI

InChI=1S/C19H31NO2/c1-6-10-17(13-16-11-8-7-9-12-16)18(21)22-15-19(2,3)14-20(4)5/h7-9,11-12,17H,6,10,13-15H2,1-5H3/p+1/t17-/m1/s1