2-[1-(imidazol-1-ylmethyl)-2,4,6-trimethyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[1-(imidazol-1-ylmethyl)-2,4,6-trimethyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(imidazol-1-ylmethyl)-2,4,6-trimethyl-5-pentoxy-indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-(1-imidazolylmethyl)-2,4,6-trimethyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(imidazol-1-ylmethyl)-2,4,6-trimethyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[5-amoxy-1-(imidazol-1-ylmethyl)-2,4,6-trimethyl-indolin-1-ium-1-yl]propionic acid Formula: C23H34N3O3+ MolecularWeight: 400.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C2=C(C=C1C)[N+](C(C2)C)(CN3C=CN=C3)C(C)C(=O)O)C

Isomeric SMILES

CCCCCOC1=C(C2=C(C=C1C)[N+](C(C2)C)(CN3C=CN=C3)C(C)C(=O)O)C

InChI

InChI=1S/C23H33N3O3/c1-6-7-8-11-29-22-16(2)12-21-20(18(22)4)13-17(3)26(21,19(5)23(27)28)15-25-10-9-24-14-25/h9-10,12,14,17,19H,6-8,11,13,15H2,1-5H3/p+1