sodium; (2S)-1-phenylpropan-2-amine; 2-propylpentanoate

Systemtic Name: sodium; (2S)-1-phenylpropan-2-amine; 2-propylpentanoate Openeye Name: sodium; (2S)-1-phenylpropan-2-amine; 2-propylpentanoate CAS Name: sodium; (2S)-1-phenyl-2-propanamine; 2-propylpentanoate IUPAC Name: sodium; (2S)-1-phenylpropan-2-amine; 2-propylpentanoate Traditional Name: sodium; [(1S)-1-methyl-2-phenyl-ethyl]amine; 2-propylvalerate Formula: C17H28NNaO2 MolecularWeight: 301.39949

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)[O-].CC(CC1=CC=CC=C1)N.[Na+]

Isomeric SMILES

CCCC(CCC)C(=O)[O-].C[C@@H](CC1=CC=CC=C1)N.[Na+]

InChI

InChI=1S/C9H13N.C8H16O2.Na/c1-8(10)7-9-5-3-2-4-6-9;1-3-5-7(6-4-2)8(9)10;/h2-6,8H,7,10H2,1H3;7H,3-6H2,1-2H3,(H,9,10);/q;;+1/p-1/t8-;;/m0../s1