3-pyrrolidin-1-ium-1-ylpropyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: 3-pyrrolidin-1-ium-1-ylpropyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: 3-pyrrolidin-1-ium-1-ylpropyl 2-cyclohexyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 3-(1-pyrrolidin-1-iumyl)propyl ester IUPAC Name: 3-pyrrolidin-1-ium-1-ylpropyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 3-pyrrolidin-1-ium-1-ylpropyl ester Formula: C21H32NO3+ MolecularWeight: 346.48368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OCCC[NH+]3CCCC3)O

Isomeric SMILES

C1CCC(CC1)C(C2=CC=CC=C2)(C(=O)OCCC[NH+]3CCCC3)O

InChI

InChI=1S/C21H31NO3/c23-20(25-17-9-16-22-14-7-8-15-22)21(24,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1,3-4,10-11,19,24H,2,5-9,12-17H2/p+1