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

Systemtic Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-pentoxy-indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-(1-imidazolylmethyl)-2-methyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[5-amoxy-1-(imidazol-1-ylmethyl)-2-methyl-indolin-1-ium-1-yl]acetic acid Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)[N+](C(C2)C)(CC(=O)O)CN3C=CN=C3

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)[N+](C(C2)C)(CC(=O)O)CN3C=CN=C3

InChI

InChI=1S/C20H27N3O3/c1-3-4-5-10-26-18-6-7-19-17(12-18)11-16(2)23(19,13-20(24)25)15-22-9-8-21-14-22/h6-9,12,14,16H,3-5,10-11,13,15H2,1-2H3/p+1