3-[(3R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C20H28ClN2O3+ MolecularWeight: 379.90092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CCC[NH+](C2)CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C20H27ClN2O3/c21-17-11-19-18(25-14-26-19)10-16(17)13-22-7-3-4-15(12-22)5-6-20(24)23-8-1-2-9-23/h10-11,15H,1-9,12-14H2/p+1/t15-/m1/s1