3-[4-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide

Systemtic Name: 3-[4-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: 3-[4-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide CAS Name: 3-[4-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: 3-[4-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: 3-[4-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propionamide Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5)CCC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5)CCC(=O)N

InChI

InChI=1S/C26H29N5O2/c27-25(32)10-11-29-12-14-30(15-13-29)18-22-19-31(17-20-6-2-1-3-7-20)28-26(22)24-16-21-8-4-5-9-23(21)33-24/h1-9,16,19H,10-15,17-18H2,(H2,27,32)/p+1