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

Systemtic Name: 2-[1-(2-imidazol-1-ylethyl)-6-methoxy-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Openeye Name: 2-[1-(2-imidazol-1-ylethyl)-6-methoxy-5-pentoxy-indolin-1-ium-1-yl]propanoic acid CAS Name: 2-[1-[2-(1-imidazolyl)ethyl]-6-methoxy-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid IUPAC Name: 2-[1-(2-imidazol-1-ylethyl)-6-methoxy-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoic acid Traditional Name: 2-[5-amoxy-1-(2-imidazol-1-ylethyl)-6-methoxy-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(CCN3C=CN=C3)C(C)C(=O)O)OC

Isomeric SMILES

CCCCCOC1=C(C=C2C(=C1)CC[N+]2(CCN3C=CN=C3)C(C)C(=O)O)OC

InChI

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