N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydrobenzofuran-5-carboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-2,3-dihydrobenzofuran-5-carboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)coumaran-5-carboxamide Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2=C3C(=CC=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CC[NH+](C1)CCN(CC2=C3C(=CC=C2)OCO3)C(=O)C4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C23H26N2O4/c26-23(18-6-7-20-17(14-18)8-13-27-20)25(12-11-24-9-1-2-10-24)15-19-4-3-5-21-22(19)29-16-28-21/h3-7,14H,1-2,8-13,15-16H2/p+1