(3S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium

Systemtic Name: (3S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium Openeye Name: (3S)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium CAS Name: (3S)-1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-3-propoxypiperidin-1-ium IUPAC Name: (3S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-propoxypiperidin-1-ium Traditional Name: (3S)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-3-propoxy-piperidin-1-ium Formula: C20H26N3O2+ MolecularWeight: 340.43934

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC[NH+](C1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCCO[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H25N3O2/c1-2-10-24-17-7-5-9-23(14-17)13-16-12-21-22-20(16)19-11-15-6-3-4-8-18(15)25-19/h3-4,6,8,11-12,17H,2,5,7,9-10,13-14H2,1H3,(H,21,22)/p+1/t17-/m0/s1