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

Systemtic Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-propoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-propoxy-indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-(1-imidazolylmethyl)-2-methyl-5-propoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-propoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-propoxy-indolin-1-ium-1-yl]propionic acid Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)[N+](C(C2)C)(CN3C=CN=C3)C(C)C(=O)O

Isomeric SMILES

CCCOC1=CC2=C(C=C1)[N+](C(C2)C)(CN3C=CN=C3)C(C)C(=O)O

InChI

InChI=1S/C19H25N3O3/c1-4-9-25-17-5-6-18-16(11-17)10-14(2)22(18,15(3)19(23)24)13-21-8-7-20-12-21/h5-8,11-12,14-15H,4,9-10,13H2,1-3H3/p+1