[(1S,4S)-1,3-dicarboxy-4-(3,4-dimethylphenyl)cyclopent-2-en-1-yl]azanium

Systemtic Name: [(1S,4S)-1,3-dicarboxy-4-(3,4-dimethylphenyl)cyclopent-2-en-1-yl]azanium Openeye Name: [(1S,4S)-1,3-dicarboxy-4-(3,4-dimethylphenyl)cyclopent-2-en-1-yl]ammonium CAS Name: [(1S,4S)-1,3-dicarboxy-4-(3,4-dimethylphenyl)-1-cyclopent-2-enyl]ammonium IUPAC Name: [(1S,4S)-1,3-dicarboxy-4-(3,4-dimethylphenyl)cyclopent-2-en-1-yl]azanium Traditional Name: [(1S,4S)-1,3-dicarboxy-4-(3,4-dimethylphenyl)cyclopent-2-en-1-yl]ammonium Formula: C15H18NO4+ MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CC(C=C2C(=O)O)(C(=O)O)[NH3+])C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H]2C[C@](C=C2C(=O)O)(C(=O)O)[NH3+])C

InChI

InChI=1S/C15H17NO4/c1-8-3-4-10(5-9(8)2)11-6-15(16,14(19)20)7-12(11)13(17)18/h3-5,7,11H,6,16H2,1-2H3,(H,17,18)(H,19,20)/p+1/t11-,15-/m0/s1