methyl 2-[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl-methyl-amino]ethanoate

Systemtic Name: methyl 2-[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoyl-methyl-amino]ethanoate Openeye Name: methyl 2-[[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]acetyl]-methyl-amino]acetate CAS Name: 2-[[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]-methylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetyl]-methylamino]acetate Traditional Name: 2-[[2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]acetyl]-methyl-amino]acetic acid methyl ester Formula: C19H28N3O5+ MolecularWeight: 378.44272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N(C)CC(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC(=O)OC

InChI

InChI=1S/C19H27N3O5/c1-4-27-16-8-6-5-7-14(16)12-22-10-9-20-19(25)15(22)11-17(23)21(2)13-18(24)26-3/h5-8,15H,4,9-13H2,1-3H3,(H,20,25)/p+1/t15-/m1/s1