propyl 2-[(2S)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: propyl 2-[(2S)-1-[(4-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: propyl 2-[(2S)-3-oxo-1-(p-tolylmethyl)piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid propyl ester IUPAC Name: propyl 2-[(2S)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(4-methylbenzyl)piperazin-1-ium-2-yl]acetic acid propyl ester Formula: C17H25N2O3+ MolecularWeight: 305.392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-3-10-22-16(20)11-15-17(21)18-8-9-19(15)12-14-6-4-13(2)5-7-14/h4-7,15H,3,8-12H2,1-2H3,(H,18,21)/p+1/t15-/m0/s1