methyl 3-methyl-5-[[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-4-ium-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 3-methyl-5-[[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-4-ium-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[2-(allylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 3-methyl-5-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazin-4-iumyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-[[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-4-ium-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(allylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C17H26N3O4+ MolecularWeight: 336.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN2CC[NH+](CC2)CC(=O)NCC=C)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CN2CC[NH+](CC2)CC(=O)NCC=C)C(=O)OC

InChI

InChI=1S/C17H25N3O4/c1-4-5-18-15(21)12-20-8-6-19(7-9-20)11-14-10-13(2)16(24-14)17(22)23-3/h4,10H,1,5-9,11-12H2,2-3H3,(H,18,21)/p+1