1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium

Systemtic Name: 1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(1-pyrrolidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Formula: C28H34N4O+2 MolecularWeight: 442.59576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CC[NH+](CC2)CC3=CN(N=C3C4=CC5=CC=CC=C5O4)CC6=CC=CC=C6

Isomeric SMILES

C1CC[NH+](C1)C2CC[NH+](CC2)CC3=CN(N=C3C4=CC5=CC=CC=C5O4)CC6=CC=CC=C6

InChI

InChI=1S/C28H32N4O/c1-2-8-22(9-3-1)19-32-21-24(20-30-16-12-25(13-17-30)31-14-6-7-15-31)28(29-32)27-18-23-10-4-5-11-26(23)33-27/h1-5,8-11,18,21,25H,6-7,12-17,19-20H2/p+2