diethyl-[(2R)-2-heptanoyloxy-3-phenylmethoxy-propyl]azanium

Systemtic Name: diethyl-[(2R)-2-heptanoyloxy-3-phenylmethoxy-propyl]azanium Openeye Name: [(2R)-3-benzyloxy-2-heptanoyloxy-propyl]-diethyl-ammonium CAS Name: diethyl-[(2R)-2-(1-oxoheptoxy)-3-phenylmethoxypropyl]ammonium IUPAC Name: diethyl-[(2R)-2-heptanoyloxy-3-phenylmethoxypropyl]azanium Traditional Name: [(2R)-3-benzoxy-2-enanthyloxy-propyl]-diethyl-ammonium Formula: C21H36NO3+ MolecularWeight: 350.51544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC(C[NH+](CC)CC)COCC1=CC=CC=C1

Isomeric SMILES

CCCCCCC(=O)O[C@H](C[NH+](CC)CC)COCC1=CC=CC=C1

InChI

InChI=1S/C21H35NO3/c1-4-7-8-12-15-21(23)25-20(16-22(5-2)6-3)18-24-17-19-13-10-9-11-14-19/h9-11,13-14,20H,4-8,12,15-18H2,1-3H3/p+1/t20-/m1/s1