1-[2-[(2S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-2-yl]ethyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[(2S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-2-yl]ethyl]pyrrolidin-2-one Openeye Name: 1-[2-[(2S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-2-yl]ethyl]pyrrolidin-2-one CAS Name: 1-[2-[(2S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]-2-piperidin-1-iumyl]ethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[(2S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-2-yl]ethyl]pyrrolidin-2-one Traditional Name: 1-[2-[(2S)-1-[(6-ethoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-2-yl]ethyl]-2-pyrrolidone Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C[NH+]3CCCCC3CCN4CCCC4=O)OCO2

Isomeric SMILES

CCOC1=CC2=C(C=C1C[NH+]3CCCC[C@H]3CCN4CCCC4=O)OCO2

InChI

InChI=1S/C21H30N2O4/c1-2-25-18-13-20-19(26-15-27-20)12-16(18)14-23-9-4-3-6-17(23)8-11-22-10-5-7-21(22)24/h12-13,17H,2-11,14-15H2,1H3/p+1/t17-/m0/s1