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

Systemtic Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-propoxy-2,3-dihydroindol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-propoxy-indolin-1-ium-1-yl]acetic acid CAS Name: 2-[1-(1-imidazolylmethyl)-2-methyl-5-propoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid IUPAC Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-propoxy-2,3-dihydroindol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-propoxy-indolin-1-ium-1-yl]acetic acid Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-3-8-24-16-4-5-17-15(10-16)9-14(2)21(17,11-18(22)23)13-20-7-6-19-12-20/h4-7,10,12,14H,3,8-9,11,13H2,1-2H3/p+1