1-(3-aminocarbonyl-4H-quinolin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: 1-(3-aminocarbonyl-4H-quinolin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-1-(3-carbamoyl-4H-quinolin-1-yl)pyrrolidin-1-ium-2-carboxylic acid CAS Name: 1-(3-carbamoyl-4H-quinolin-1-yl)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(3-carbamoyl-4H-quinolin-1-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-1-(3-carbamoyl-4H-quinolin-1-yl)pyrrolidin-1-ium-2-carboxylic acid Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1C(=O)O)N2C=C(CC3=CC=CC=C32)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1C(=O)O)N2C=C(CC3=CC=CC=C32)C(=O)N

InChI

InChI=1S/C20H25N3O5/c1-20(2,3)28-19(27)23(10-6-9-16(23)18(25)26)22-12-14(17(21)24)11-13-7-4-5-8-15(13)22/h4-5,7-8,12,16H,6,9-11H2,1-3H3,(H2-,21,24,25,26)/p+1