methyl (2S,4R)-4-[(4-fluorophenyl)carbonylamino]-1-(1-propylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(4-fluorophenyl)carbonylamino]-1-(1-propylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(4-fluorobenzoyl)amino]-1-(1-propylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[(4-fluorophenyl)-oxomethyl]amino]-1-(1-propyl-4-piperidin-1-iumyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(4-fluorobenzoyl)amino]-1-(1-propylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-[(4-fluorobenzoyl)amino]-1-(1-propylpiperidin-1-ium-4-yl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H32FN3O3+2 MolecularWeight: 393.495483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN3O3/c1-3-10-24-11-8-18(9-12-24)25-14-17(13-19(25)21(27)28-2)23-20(26)15-4-6-16(22)7-5-15/h4-7,17-19H,3,8-14H2,1-2H3,(H,23,26)/p+2/t17-,19+/m1/s1