(1-cyclohexyl-1-methyl-pyrrolidin-1-ium-3-yl) 9H-xanthene-9-carboxylate

Systemtic Name: (1-cyclohexyl-1-methyl-pyrrolidin-1-ium-3-yl) 9H-xanthene-9-carboxylate Openeye Name: (1-cyclohexyl-1-methyl-pyrrolidin-1-ium-3-yl) 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid (1-cyclohexyl-1-methyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (1-cyclohexyl-1-methylpyrrolidin-1-ium-3-yl) 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid (1-cyclohexyl-1-methyl-pyrrolidin-1-ium-3-yl) ester Formula: C25H30NO3+ MolecularWeight: 392.5106

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5CCCCC5

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5CCCCC5

InChI

InChI=1S/C25H30NO3/c1-26(18-9-3-2-4-10-18)16-15-19(17-26)28-25(27)24-20-11-5-7-13-22(20)29-23-14-8-6-12-21(23)24/h5-8,11-14,18-19,24H,2-4,9-10,15-17H2,1H3/q+1