1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-1-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidin-1-ium-3-carboxylic acid

Systemtic Name: 1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-1-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidin-1-ium-3-carboxylic acid Openeye Name: 1-[2-(dibutylamino)-2-oxo-ethyl]-1-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidin-1-ium-3-carboxylic acid CAS Name: 1-[2-(dibutylamino)-2-oxoethyl]-1-(7-methoxy-1,3-benzodioxol-5-yl)-3-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-[2-(dibutylamino)-2-oxoethyl]-1-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidin-1-ium-3-carboxylic acid Traditional Name: 1-[2-(dibutylamino)-2-keto-ethyl]-1-(7-methoxy-1,3-benzodioxol-5-yl)pyrrolidin-1-ium-3-carboxylic acid Formula: C23H35N2O6+ MolecularWeight: 435.5338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)C[N+]1(CCC(C1)C(=O)O)C2=CC3=C(C(=C2)OC)OCO3

Isomeric SMILES

CCCCN(CCCC)C(=O)C[N+]1(CCC(C1)C(=O)O)C2=CC3=C(C(=C2)OC)OCO3

InChI

InChI=1S/C23H34N2O6/c1-4-6-9-24(10-7-5-2)21(26)15-25(11-8-17(14-25)23(27)28)18-12-19(29-3)22-20(13-18)30-16-31-22/h12-13,17H,4-11,14-16H2,1-3H3/p+1