2-carboxybenzoate; 1,3-diethyl-2-methyl-4,5-dihydroimidazol-1-ium

Systemtic Name: 2-carboxybenzoate; 1,3-diethyl-2-methyl-4,5-dihydroimidazol-1-ium Openeye Name: 2-carboxybenzoate; 1,3-diethyl-2-methyl-4,5-dihydroimidazol-1-ium CAS Name: 2-carboxybenzoate; 1,3-diethyl-2-methyl-4,5-dihydroimidazol-1-ium IUPAC Name: 2-carboxybenzoate; 1,3-diethyl-2-methyl-4,5-dihydroimidazol-1-ium Traditional Name: 2-carboxybenzoate; 1,3-diethyl-2-methyl-2-imidazolin-1-ium Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[N+](=C1C)CC.C1=CC=C(C(=C1)C(=O)O)C(=O)[O-]

Isomeric SMILES

CCN1CC[N+](=C1C)CC.C1=CC=C(C(=C1)C(=O)O)C(=O)[O-]

InChI

InChI=1S/C8H17N2.C8H6O4/c1-4-9-6-7-10(5-2)8(9)3;9-7(10)5-3-1-2-4-6(5)8(11)12/h4-7H2,1-3H3;1-4H,(H,9,10)(H,11,12)/q+1;/p-1