3-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 3-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidin-1-iumyl]methyl]phenol IUPAC Name: 3-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]phenol Formula: C22H31N3O+2 MolecularWeight: 353.50104

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CC[NH+](C2)CC3=CC(=CC=C3)O)CC4=CN=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1C2CC[NH+](CC2)CC3=CN=CC=C3)CC4=CC(=CC=C4)O

InChI

InChI=1S/C22H29N3O/c26-22-5-1-3-18(13-22)15-25-12-8-21(17-25)20-6-10-24(11-7-20)16-19-4-2-9-23-14-19/h1-5,9,13-14,20-21,26H,6-8,10-12,15-17H2/p+2/t21-/m0/s1