1-[(3R)-3-[1-(2-methylpropyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-3-pyridin-4-yl-propan-1-one

Systemtic Name: 1-[(3R)-3-[1-(2-methylpropyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-3-pyridin-4-yl-propan-1-one Openeye Name: 1-[(3R)-3-(1-isobutylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-3-(4-pyridyl)propan-1-one CAS Name: 1-[(3R)-3-[1-(2-methylpropyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-3-pyridin-4-yl-1-propanone IUPAC Name: 1-[(3R)-3-[1-(2-methylpropyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one Traditional Name: 1-[(3R)-3-(1-isobutylpiperidin-1-ium-4-yl)pyrrolidino]-3-(4-pyridyl)propan-1-one Formula: C21H34N3O+ MolecularWeight: 344.51416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)C2CCN(C2)C(=O)CCC3=CC=NC=C3

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)[C@H]2CCN(C2)C(=O)CCC3=CC=NC=C3

InChI

InChI=1S/C21H33N3O/c1-17(2)15-23-12-7-19(8-13-23)20-9-14-24(16-20)21(25)4-3-18-5-10-22-11-6-18/h5-6,10-11,17,19-20H,3-4,7-9,12-16H2,1-2H3/p+1/t20-/m0/s1