methyl 4-[[2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(2R)-3-oxidanylidene-1-propan-2-yl-piperazin-1-ium-2-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(2R)-1-isopropyl-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(2R)-3-oxo-1-propan-2-yl-2-piperazin-1-iumyl]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(2R)-3-oxo-1-propan-2-ylpiperazin-1-ium-2-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(2R)-1-isopropyl-3-keto-piperazin-1-ium-2-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H25N3O4/c1-12(2)21-9-8-19-17(23)15(21)10-16(22)20-11-13-4-6-14(7-5-13)18(24)25-3/h4-7,12,15H,8-11H2,1-3H3,(H,19,23)(H,20,22)/p+1/t15-/m1/s1