2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-4-oxidanyl-piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-piperidin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-piperidin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCC(CC2)(C3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C18H24N2O4/c21-17(20-7-1-2-8-20)12-19-9-5-18(22,6-10-19)14-3-4-15-16(11-14)24-13-23-15/h3-4,11,22H,1-2,5-10,12-13H2/p+1