methyl 5-[[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(isobutylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[2-(2-methylpropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[2-(2-methylpropylamino)-2-oxoethyl]piperazin-4-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(isobutylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C17H28N3O4+ MolecularWeight: 338.42192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)CC2=CC=C(O2)C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)CC2=CC=C(O2)C(=O)OC

InChI

InChI=1S/C17H27N3O4/c1-13(2)10-18-16(21)12-20-8-6-19(7-9-20)11-14-4-5-15(24-14)17(22)23-3/h4-5,13H,6-12H2,1-3H3,(H,18,21)/p+1