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

Systemtic Name: 3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCC[NH+](C2)CC3=CC=NC=C3

Isomeric SMILES

C1CCN(C1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=NC=C3

InChI

InChI=1S/C18H27N3O/c22-18(21-12-1-2-13-21)6-5-16-4-3-11-20(14-16)15-17-7-9-19-10-8-17/h7-10,16H,1-6,11-15H2/p+1/t16-/m1/s1