1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[3-(furan-2-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[3-(furan-2-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[3-(2-furyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(2,3-dihydrobenzofuran-5-ylmethyl)-N-[3-(2-furanyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[3-(furan-2-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(coumaran-5-ylmethyl)-N-[3-(2-furyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C25H26N2O3/c28-25(26-22-4-1-3-20(16-22)23-5-2-13-29-23)19-8-11-27(12-9-19)17-18-6-7-24-21(15-18)10-14-30-24/h1-7,13,15-16,19H,8-12,14,17H2,(H,26,28)/p+1