(2S)-4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenyl-piperazin-4-ium

Systemtic Name: (2S)-4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenyl-piperazin-4-ium Openeye Name: (2S)-4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenyl-piperazin-4-ium CAS Name: (2S)-4-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenylpiperazin-4-ium IUPAC Name: (2S)-4-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenylpiperazin-4-ium Traditional Name: (2S)-4-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenyl-piperazin-4-ium Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1C2=CC=CC=C2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CN1CC[NH+](C[C@@H]1C2=CC=CC=C2)CC3=C(NN=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H24N4O/c1-26-11-12-27(16-20(26)17-7-3-2-4-8-17)15-19-14-24-25-23(19)22-13-18-9-5-6-10-21(18)28-22/h2-10,13-14,20H,11-12,15-16H2,1H3,(H,24,25)/p+1/t20-/m1/s1