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

Systemtic Name: (5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: (5-isopropyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid (5-propan-2-yl-1H-indol-2-yl)methyl ester IUPAC Name: (5-propan-2-yl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid (5-isopropyl-1H-indol-2-yl)methyl ester Formula: C19H21N2O2+ MolecularWeight: 309.38224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N2O2/c1-13(2)14-6-7-18-16(9-14)10-17(20-18)12-23-19(22)15-5-4-8-21(3)11-15/h4-11,13,20H,12H2,1-3H3/q+1