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

Systemtic Name: ethyl 2-[1-[(3-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: ethyl 2-[1-(m-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[1-[(3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[3-keto-1-(3-methylbenzyl)piperazin-1-ium-2-yl]acetic acid ethyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-3-21-15(19)10-14-16(20)17-7-8-18(14)11-13-6-4-5-12(2)9-13/h4-6,9,14H,3,7-8,10-11H2,1-2H3,(H,17,20)/p+1