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

Systemtic Name: (phenylmethyl) 3-cyclopropyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 1-[tert-butoxycarbonyl(methyl)amino]-3-cyclopropyl-pyrrolidin-1-ium-1-carboxylate CAS Name: 3-cyclopropyl-1-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-cyclopropyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[tert-butoxycarbonyl(methyl)amino]-3-cyclopropyl-pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N2O4/c1-21(2,3)27-19(24)22(4)23(13-12-18(14-23)17-10-11-17)20(25)26-15-16-8-6-5-7-9-16/h5-9,17-18H,10-15H2,1-4H3/q+1