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

Systemtic Name: [1-ethyl-1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: [1-ethyl-1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-ethyl-1-[3-(4-methoxyphenoxy)propyl]-3-pyrrolidin-1-iumyl] ester bromide IUPAC Name: [1-ethyl-1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-ethyl-1-[3-(4-methoxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] ester bromide Formula: C29H40BrNO5 MolecularWeight: 562.5356

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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.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C29H40NO5.BrH/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;1H/q+1;/p-1