2-[1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]butanoic acid

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]butanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]butanoic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-2,3-dihydroindol-1-ium-1-yl]butanoic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-2,3-dihydroindol-1-ium-1-yl]butanoic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)indolin-1-ium-1-yl]butyric acid Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)[N+]1(CCC2=CC=CC=C21)CCN3C=CN=C3

Isomeric SMILES

CCC(C(=O)O)[N+]1(CCC2=CC=CC=C21)CCN3C=CN=C3

InChI

InChI=1S/C17H21N3O2/c1-2-15(17(21)22)20(12-10-19-9-8-18-13-19)11-7-14-5-3-4-6-16(14)20/h3-6,8-9,13,15H,2,7,10-12H2,1H3/p+1