N-[3-(furan-2-yl)phenyl]-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(furan-2-yl)phenyl]-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(2-furyl)phenyl]-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(2-furanyl)phenyl]-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(furan-2-yl)phenyl]-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(2-furyl)phenyl]-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=CC=CN4C5=CC=CC=N5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=CO3)CC4=CC=CN4C5=CC=CC=N5

InChI

InChI=1S/C26H26N4O2/c31-26(28-22-7-3-6-21(18-22)24-9-5-17-32-24)20-11-15-29(16-12-20)19-23-8-4-14-30(23)25-10-1-2-13-27-25/h1-10,13-14,17-18,20H,11-12,15-16,19H2,(H,28,31)/p+1