[4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H27N3O2/c26-22(25-12-1-2-13-25)19-5-7-20(8-6-19)27-21-9-14-24(15-10-21)17-18-4-3-11-23-16-18/h3-8,11,16,21H,1-2,9-10,12-15,17H2/p+1