N-(furan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-furylmethyl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-furanylmethyl)-1-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(furan-2-ylmethyl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-furfuryl)-1-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C25H28N5O2+ MolecularWeight: 430.52212

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CO2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CO2)CC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C25H27N5O2/c31-24(26-18-23-9-6-16-32-23)20-10-14-28(15-11-20)19-21-17-27-30(22-7-2-1-3-8-22)25(21)29-12-4-5-13-29/h1-9,12-13,16-17,20H,10-11,14-15,18-19H2,(H,26,31)/p+1