ethyl 2-[3-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[3-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]pyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC(=C1)C2(OCCO2)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC(=C1)C2(OCCO2)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C20H21N2O4/c1-2-24-19(23)14-22-9-5-7-16(13-22)20(25-10-11-26-20)18-12-15-6-3-4-8-17(15)21-18/h3-9,12-13,21H,2,10-11,14H2,1H3/q+1