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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-5-methoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-indolin-1-ium-1-yl]acetic acid Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](CC2)(CCN3C=CN=C3)CC(=O)O

InChI

InChI=1S/C16H19N3O3/c1-22-14-2-3-15-13(10-14)4-8-19(15,11-16(20)21)9-7-18-6-5-17-12-18/h2-3,5-6,10,12H,4,7-9,11H2,1H3/p+1