[1-ethyl-1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [1-ethyl-1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-ethyl-1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-ethyl-1-[3-(4-methoxyphenoxy)propyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-ethyl-1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-ethyl-1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] ester Formula: C29H40NO5+ MolecularWeight: 482.6316

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCOC4=CC=C(C=C4)OC

Isomeric SMILES

CC[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C29H40NO5/c1-3-30(19-9-21-34-26-16-14-25(33-2)15-17-26)20-18-27(22-30)35-28(31)29(32,24-12-7-8-13-24)23-10-5-4-6-11-23/h4-6,10-11,14-17,24,27,32H,3,7-9,12-13,18-22H2,1-2H3/q+1