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

Systemtic Name: 2-[1-(3-imidazol-1-ylpropyl)-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(3-imidazol-1-ylpropyl)-5-pentoxy-indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[3-(1-imidazolyl)propyl]-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(3-imidazol-1-ylpropyl)-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[5-amoxy-1-(3-imidazol-1-ylpropyl)indolin-1-ium-1-yl]acetic acid Formula: C21H30N3O3+ MolecularWeight: 372.4812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)[N+](CC2)(CCCN3C=CN=C3)CC(=O)O

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)[N+](CC2)(CCCN3C=CN=C3)CC(=O)O

InChI

InChI=1S/C21H29N3O3/c1-2-3-4-14-27-19-6-7-20-18(15-19)8-13-24(20,16-21(25)26)12-5-10-23-11-9-22-17-23/h6-7,9,11,15,17H,2-5,8,10,12-14,16H2,1H3/p+1