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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-5-pentoxy-indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[5-amoxy-1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]acetic acid Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)CC(=O)O

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)CC(=O)O

InChI

InChI=1S/C20H27N3O3/c1-2-3-4-13-26-18-5-6-19-17(14-18)7-11-23(19,15-20(24)25)12-10-22-9-8-21-16-22/h5-6,8-9,14,16H,2-4,7,10-13,15H2,1H3/p+1