(phenylmethyl) 3-cyclopropyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 3-cyclopropyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 1-[tert-butoxycarbonyl(ethyl)amino]-3-cyclopropyl-pyrrolidin-1-ium-1-carboxylate CAS Name: 3-cyclopropyl-1-[ethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-cyclopropyl-1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[tert-butoxycarbonyl(ethyl)amino]-3-cyclopropyl-pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C22H33N2O4+ MolecularWeight: 389.50842

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)OC(C)(C)C)[N+]1(CCC(C1)C2CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCN(C(=O)OC(C)(C)C)[N+]1(CCC(C1)C2CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H33N2O4/c1-5-23(20(25)28-22(2,3)4)24(14-13-19(15-24)18-11-12-18)21(26)27-16-17-9-7-6-8-10-17/h6-10,18-19H,5,11-16H2,1-4H3/q+1