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

Systemtic Name: 2-[5-butyl-1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[5-butyl-1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]acetic acid CAS Name: 2-[5-butyl-1-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[5-butyl-1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[5-butyl-1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]acetic acid Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)CC(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)CC(=O)O

InChI

InChI=1S/C19H25N3O2/c1-2-3-4-16-5-6-18-17(13-16)7-11-22(18,14-19(23)24)12-10-21-9-8-20-15-21/h5-6,8-9,13,15H,2-4,7,10-12,14H2,1H3/p+1