3-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C23H38N4O+2 MolecularWeight: 386.57402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CC[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H36N4O/c28-23(26-12-1-2-13-26)8-7-20-6-4-14-27(19-20)22-9-15-25(16-10-22)18-21-5-3-11-24-17-21/h3,5,11,17,20,22H,1-2,4,6-10,12-16,18-19H2/p+2/t20-/m1/s1