methyl (2S,4S)-1-(1-ethylpiperidin-1-ium-4-yl)-4-(furan-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-(1-ethylpiperidin-1-ium-4-yl)-4-(furan-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-(1-ethylpiperidin-1-ium-4-yl)-4-(furan-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-(1-ethyl-4-piperidin-1-iumyl)-4-[[2-furanyl(oxo)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-(1-ethylpiperidin-1-ium-4-yl)-4-(furan-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-(1-ethylpiperidin-1-ium-4-yl)-4-(2-furoylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C18H29N3O4+2 MolecularWeight: 351.44056

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H27N3O4/c1-3-20-8-6-14(7-9-20)21-12-13(11-15(21)18(23)24-2)19-17(22)16-5-4-10-25-16/h4-5,10,13-15H,3,6-9,11-12H2,1-2H3,(H,19,22)/p+2/t13-,15-/m0/s1