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

Systemtic Name: 1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperazin-1-ium Openeye Name: 1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperazin-1-ium CAS Name: 1-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(2-methoxyethyl)piperazin-1-ium IUPAC Name: 1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperazin-1-ium Traditional Name: 1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperazin-1-ium Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1CC[NH+](CC1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

COCCN1CC[NH+](CC1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C26H30N4O2/c1-31-16-15-28-11-13-29(14-12-28)19-23-20-30(18-21-7-3-2-4-8-21)27-26(23)25-17-22-9-5-6-10-24(22)32-25/h2-10,17,20H,11-16,18-19H2,1H3/p+1