(2S)-1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-pentan-1-one

Systemtic Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-pentan-1-one Openeye Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-pentan-1-one CAS Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)-1-pentanone IUPAC Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylpentan-1-one Traditional Name: (2S)-1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-pentan-1-one Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC2=C(C=C1)OCO2)[NH+]3CCCC3

Isomeric SMILES

CCC[C@@H](C(=O)C1=CC2=C(C=C1)OCO2)[NH+]3CCCC3

InChI

InChI=1S/C16H21NO3/c1-2-5-13(17-8-3-4-9-17)16(18)12-6-7-14-15(10-12)20-11-19-14/h6-7,10,13H,2-5,8-9,11H2,1H3/p+1/t13-/m0/s1