2-[1-(2-imidazol-1-ylethyl)-5-pentyl-2,3-dihydroindol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-5-pentyl-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-5-pentyl-indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-5-pentyl-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-5-pentyl-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[5-amyl-1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]acetic acid Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)CC(=O)O

Isomeric SMILES

CCCCCC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)CC(=O)O

InChI

InChI=1S/C20H27N3O2/c1-2-3-4-5-17-6-7-19-18(14-17)8-12-23(19,15-20(24)25)13-11-22-10-9-21-16-22/h6-7,9-10,14,16H,2-5,8,11-13,15H2,1H3/p+1