methyl 2-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]acetyl]amino]acetic acid methyl ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NCC(=O)OC

InChI

InChI=1S/C17H23N3O4/c1-13(21)14-3-5-15(6-4-14)20-9-7-19(8-10-20)12-16(22)18-11-17(23)24-2/h3-6H,7-12H2,1-2H3,(H,18,22)/p+1