ethyl 2-[1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)OCC

InChI

InChI=1S/C17H24N2O4/c1-3-22-15-8-6-5-7-13(15)12-19-10-9-18-17(21)14(19)11-16(20)23-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,18,21)/p+1