methyl 4-[[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

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