methyl 5-[[4-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate Openeye Name: methyl 5-[[4-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-yl]methyl]-3-methyl-furan-2-carboxylate CAS Name: 5-[[4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-1-piperazin-4-iumyl]methyl]-3-methyl-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]piperazin-4-ium-1-yl]methyl]-3-methylfuran-2-carboxylate Traditional Name: 5-[[4-[(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-yl]methyl]-3-methyl-furan-2-carboxylic acid methyl ester Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CN2CC[NH+](CC2)C(C)C(=O)NC3CC3)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)CN2CC[NH+](CC2)[C@H](C)C(=O)NC3CC3)C(=O)OC

InChI

InChI=1S/C18H27N3O4/c1-12-10-15(25-16(12)18(23)24-3)11-20-6-8-21(9-7-20)13(2)17(22)19-14-4-5-14/h10,13-14H,4-9,11H2,1-3H3,(H,19,22)/p+1/t13-/m1/s1