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

Systemtic Name: 1-(furan-3-ylmethyl)-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(3-furylmethyl)-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(3-furanylmethyl)-N-[3-(1H-indol-2-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(furan-3-ylmethyl)-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-furfuryl)-N-[3-(1H-indol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3)CC5=COC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC4=CC=CC=C4N3)CC5=COC=C5

InChI

InChI=1S/C25H25N3O2/c29-25(19-8-11-28(12-9-19)16-18-10-13-30-17-18)26-22-6-3-5-20(14-22)24-15-21-4-1-2-7-23(21)27-24/h1-7,10,13-15,17,19,27H,8-9,11-12,16H2,(H,26,29)/p+1