N-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)chromene-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-N-(2-pyrrolidin-1-ium-1-ylethyl)chromene-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)chromene-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzopyran-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-N-(2-pyrrolidin-1-ium-1-ylethyl)chromene-3-carboxamide Traditional Name: 2-keto-N-piperonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)chromene-3-carboxamide Formula: C24H25N2O5+ MolecularWeight: 421.4657

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CC[NH+](C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C24H24N2O5/c27-23(19-14-18-5-1-2-6-20(18)31-24(19)28)26(12-11-25-9-3-4-10-25)15-17-7-8-21-22(13-17)30-16-29-21/h1-2,5-8,13-14H,3-4,9-12,15-16H2/p+1