(2R)-2-(furan-2-yl)-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: (2R)-2-(furan-2-yl)-N-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: (2R)-N-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: (2R)-2-(2-furanyl)-N-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: (2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)methyl-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C27H31N4O+ MolecularWeight: 427.56124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNCC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CO5

InChI

InChI=1S/C27H30N4O/c1-3-10-22(11-4-1)20-31-21-24(27(29-31)23-12-5-2-6-13-23)18-28-19-25(26-14-9-17-32-26)30-15-7-8-16-30/h1-6,9-14,17,21,25,28H,7-8,15-16,18-20H2/p+1/t25-/m1/s1