(5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)ethanoate

Systemtic Name: (5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)ethanoate Openeye Name: (5-isopropyl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate CAS Name: 2-(1-methyl-3-pyridin-1-iumyl)acetic acid (5-propan-2-yl-1H-indol-2-yl)methyl ester IUPAC Name: (5-propan-2-yl-1H-indol-2-yl)methyl 2-(1-methylpyridin-1-ium-3-yl)acetate Traditional Name: 2-(1-methylpyridin-1-ium-3-yl)acetic acid (5-isopropyl-1H-indol-2-yl)methyl ester Formula: C20H23N2O2+ MolecularWeight: 323.40882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)NC(=C2)COC(=O)CC3=C[N+](=CC=C3)C

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)NC(=C2)COC(=O)CC3=C[N+](=CC=C3)C

InChI

InChI=1S/C20H23N2O2/c1-14(2)16-6-7-19-17(10-16)11-18(21-19)13-24-20(23)9-15-5-4-8-22(3)12-15/h4-8,10-12,14,21H,9,13H2,1-3H3/q+1