[(3R)-3-cyclohexylpyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone

Systemtic Name: [(3R)-3-cyclohexylpyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Openeye Name: [(3R)-3-cyclohexylpyrrolidin-1-yl]-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone CAS Name: [(3R)-3-cyclohexyl-1-pyrrolidinyl]-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methanone IUPAC Name: [(3R)-3-cyclohexylpyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Traditional Name: [(3R)-3-cyclohexylpyrrolidino]-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]methanone Formula: C28H38N3O2+ MolecularWeight: 448.62022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCN(C2)C(=O)C3=CC=C(C=C3)OC4CC[NH+](CC4)CC5=CC=CC=N5

Isomeric SMILES

C1CCC(CC1)[C@H]2CCN(C2)C(=O)C3=CC=C(C=C3)OC4CC[NH+](CC4)CC5=CC=CC=N5

InChI

InChI=1S/C28H37N3O2/c32-28(31-19-13-24(20-31)22-6-2-1-3-7-22)23-9-11-26(12-10-23)33-27-14-17-30(18-15-27)21-25-8-4-5-16-29-25/h4-5,8-12,16,22,24,27H,1-3,6-7,13-15,17-21H2/p+1/t24-/m0/s1