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

Systemtic Name: [(3S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-morpholin-4-yl-methanone Openeye Name: [(3S)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-morpholino-methanone CAS Name: [(3S)-1-[[5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]-(4-morpholinyl)methanone IUPAC Name: [(3S)-1-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-morpholin-4-ylmethanone Traditional Name: [(3S)-1-[[5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-morpholino-methanone Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3)C(=O)N5CCOCC5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3)C(=O)N5CCOCC5

InChI

InChI=1S/C22H26N4O3/c27-22(26-8-10-28-11-9-26)17-5-3-7-25(14-17)15-18-13-23-24-21(18)20-12-16-4-1-2-6-19(16)29-20/h1-2,4,6,12-13,17H,3,5,7-11,14-15H2,(H,23,24)/p+1/t17-/m0/s1