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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2-methyl-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2-methyl-indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-5-methoxy-2-methyl-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2-methyl-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2-methyl-indolin-1-ium-1-yl]acetic acid Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C([N+]1(CCN3C=CN=C3)CC(=O)O)C=CC(=C2)OC

Isomeric SMILES

CC1CC2=C([N+]1(CCN3C=CN=C3)CC(=O)O)C=CC(=C2)OC

InChI

InChI=1S/C17H21N3O3/c1-13-9-14-10-15(23-2)3-4-16(14)20(13,11-17(21)22)8-7-19-6-5-18-12-19/h3-6,10,12-13H,7-9,11H2,1-2H3/p+1