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

Systemtic Name: 1-(1-benzofuran-2-ylmethyl)-N-[3-(furan-2-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(benzofuran-2-ylmethyl)-N-[3-(2-furyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(2-benzofuranylmethyl)-N-[3-(2-furanyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1-benzofuran-2-ylmethyl)-N-[3-(furan-2-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(benzofuran-2-ylmethyl)-N-[3-(2-furyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H25N2O3+ MolecularWeight: 401.4776

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=CC5=CC=CC=C5O4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H24N2O3/c28-25(26-21-7-3-6-19(15-21)23-9-4-14-29-23)18-10-12-27(13-11-18)17-22-16-20-5-1-2-8-24(20)30-22/h1-9,14-16,18H,10-13,17H2,(H,26,28)/p+1