[1-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [1-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [1-methyl-1-(3-tetralin-6-yloxypropyl)pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-methyl-1-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid [1-methyl-1-(3-tetralin-6-yloxypropyl)pyrrolidin-1-ium-3-yl] ester Formula: C31H42NO4+ MolecularWeight: 492.66948

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCOC4=CC5=C(CCCC5)C=C4

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CCCOC4=CC5=C(CCCC5)C=C4

InChI

InChI=1S/C31H42NO4/c1-32(19-9-21-35-28-17-16-24-10-5-6-11-25(24)22-28)20-18-29(23-32)36-30(33)31(34,27-14-7-8-15-27)26-12-3-2-4-13-26/h2-4,12-13,16-17,22,27,29,34H,5-11,14-15,18-21,23H2,1H3/q+1