ethyl 2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanoate Openeye Name: ethyl 2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-acetate CAS Name: 2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoacetate Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-acetic acid ethyl ester Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3/c1-2-20-15(19)14(18)17-10-8-16(9-11-17)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3/p+1