propyl 2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanoate

Systemtic Name: propyl 2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanoate Openeye Name: propyl 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]acetic acid propyl ester IUPAC Name: propyl 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]acetic acid propyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CC1C(=O)NCC[NH+]1CC2=CC=CC=C2

Isomeric SMILES

CCCOC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CC=CC=C2

InChI

InChI=1S/C16H22N2O3/c1-2-10-21-15(19)11-14-16(20)17-8-9-18(14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,20)/p+1/t14-/m1/s1