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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)C5=CC=CO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=CN=CC=C3)C(=O)NC4=CC=C(C=C4)C5=CC=CO5

InChI

InChI=1S/C26H26N4O2/c31-26(28-22-11-9-20(10-12-22)25-8-4-16-32-25)21-5-2-14-29(18-21)19-24-7-3-15-30(24)23-6-1-13-27-17-23/h1,3-4,6-13,15-17,21H,2,5,14,18-19H2,(H,28,31)/p+1/t21-/m0/s1