2-[1-(1-methoxy-1-oxidanylidene-butan-2-yl)-2,3-dihydro-1H-inden-5-yl]-1-pentyl-imidazol-1-ium-1-carboxylic acid

Systemtic Name: 2-[1-(1-methoxy-1-oxidanylidene-butan-2-yl)-2,3-dihydro-1H-inden-5-yl]-1-pentyl-imidazol-1-ium-1-carboxylic acid Openeye Name: 2-[1-(1-methoxycarbonylpropyl)indan-5-yl]-1-pentyl-imidazol-1-ium-1-carboxylic acid CAS Name: 2-[1-(1-methoxy-1-oxobutan-2-yl)-2,3-dihydro-1H-inden-5-yl]-1-pentyl-1-imidazol-1-iumcarboxylic acid IUPAC Name: 2-[1-(1-methoxy-1-oxobutan-2-yl)-2,3-dihydro-1H-inden-5-yl]-1-pentylimidazol-1-ium-1-carboxylic acid Traditional Name: 1-amyl-2-[1-(1-carbomethoxypropyl)indan-5-yl]imidazol-1-ium-1-carboxylic acid Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(C=CN=C1C2=CC3=C(C=C2)C(CC3)C(CC)C(=O)OC)C(=O)O

Isomeric SMILES

CCCCC[N+]1(C=CN=C1C2=CC3=C(C=C2)C(CC3)C(CC)C(=O)OC)C(=O)O

InChI

InChI=1S/C23H30N2O4/c1-4-6-7-13-25(23(27)28)14-12-24-21(25)17-9-10-19-16(15-17)8-11-20(19)18(5-2)22(26)29-3/h9-10,12,14-15,18,20H,4-8,11,13H2,1-3H3/p+1