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

Systemtic Name: 2-[1-(imidazol-1-ylmethyl)-6-methoxy-2-methyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(imidazol-1-ylmethyl)-6-methoxy-2-methyl-5-pentoxy-indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-(1-imidazolylmethyl)-6-methoxy-2-methyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(imidazol-1-ylmethyl)-6-methoxy-2-methyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[5-amoxy-1-(imidazol-1-ylmethyl)-6-methoxy-2-methyl-indolin-1-ium-1-yl]propionic acid Formula: C22H32N3O4+ MolecularWeight: 402.50718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C2C(=C1)CC([N+]2(CN3C=CN=C3)C(C)C(=O)O)C)OC

Isomeric SMILES

CCCCCOC1=C(C=C2C(=C1)CC([N+]2(CN3C=CN=C3)C(C)C(=O)O)C)OC

InChI

InChI=1S/C22H31N3O4/c1-5-6-7-10-29-21-12-18-11-16(2)25(17(3)22(26)27,15-24-9-8-23-14-24)19(18)13-20(21)28-4/h8-9,12-14,16-17H,5-7,10-11,15H2,1-4H3/p+1