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

Systemtic Name: methyl 4-[[2-[(2R)-1-(3-methylbutyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(2R)-1-isopentyl-3-oxo-piperazin-1-ium-2-yl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(2R)-1-(3-methylbutyl)-3-oxo-2-piperazin-1-iumyl]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-1-ium-2-yl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(2R)-1-isoamyl-3-keto-piperazin-1-ium-2-yl]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4/c1-14(2)8-10-23-11-9-21-19(25)17(23)12-18(24)22-13-15-4-6-16(7-5-15)20(26)27-3/h4-7,14,17H,8-13H2,1-3H3,(H,21,25)(H,22,24)/p+1/t17-/m1/s1