2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid; (1S,5R)-6-(4-fluorophenyl)-3-azoniabicyclo[3.2.0]heptane

Systemtic Name: 2,3-bis[(4-methylphenyl)carbonyloxy]butanedioic acid; (1S,5R)-6-(4-fluorophenyl)-3-azoniabicyclo[3.2.0]heptane Openeye Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; (1S,5R)-6-(4-fluorophenyl)-3-azoniabicyclo[3.2.0]heptane CAS Name: 2,3-bis[(4-methylphenyl)-oxomethoxy]butanedioic acid; (1S,5R)-6-(4-fluorophenyl)-3-azoniabicyclo[3.2.0]heptane IUPAC Name: 2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid; (1S,5R)-6-(4-fluorophenyl)-3-azoniabicyclo[3.2.0]heptane Traditional Name: 2,3-bis(p-toluoyloxy)succinic acid; (1S,5R)-6-(4-fluorophenyl)-3-azoniabicyclo[3.2.0]heptane Formula: C32H33FNO8+ MolecularWeight: 578.604723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.C1C2C[NH2+]CC2C1C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O.C1[C@@H]2C[NH2+]C[C@@H]2C1C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18O8.C12H14FN/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;13-10-3-1-8(2-4-10)11-5-9-6-14-7-12(9)11/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);1-4,9,11-12,14H,5-7H2/p+1/t;9-,11?,12+/m.1/s1