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

Systemtic Name: 2-[1-(2-imidazol-1-ylpropyl)-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylpropyl)indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(1-imidazolyl)propyl]-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(2-imidazol-1-ylpropyl)-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(2-imidazol-1-ylpropyl)indolin-1-ium-1-yl]acetic acid Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCC2=CC=CC=C21)CC(=O)O)N3C=CN=C3

Isomeric SMILES

CC(C[N+]1(CCC2=CC=CC=C21)CC(=O)O)N3C=CN=C3

InChI

InChI=1S/C16H19N3O2/c1-13(18-8-7-17-12-18)10-19(11-16(20)21)9-6-14-4-2-3-5-15(14)19/h2-5,7-8,12-13H,6,9-11H2,1H3/p+1