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

Systemtic Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C20H28N2O3/c23-19(22-11-1-2-12-22)9-8-16-5-4-10-21(13-16)14-17-6-3-7-18-20(17)25-15-24-18/h3,6-7,16H,1-2,4-5,8-15H2/p+1/t16-/m1/s1