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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2-methyl-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2-methyl-indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-5-methoxy-2-methyl-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2-methyl-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(2-imidazol-1-ylethyl)-5-methoxy-2-methyl-indolin-1-ium-1-yl]propionic acid Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-13-10-15-11-16(24-3)4-5-17(15)21(13,14(2)18(22)23)9-8-20-7-6-19-12-20/h4-7,11-14H,8-10H2,1-3H3/p+1