[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-azanium

Systemtic Name: [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-azanium Openeye Name: [5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-ammonium CAS Name: [5-(2-benzofuranyl)-1H-pyrazol-4-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methylammonium IUPAC Name: [5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methylazanium Traditional Name: [5-(benzofuran-2-yl)-1H-pyrazol-4-yl]methyl-[[(2S)-1,4-dioxan-2-yl]methyl]-methyl-ammonium Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1COCCO1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C[NH+](C[C@H]1COCCO1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C18H21N3O3/c1-21(11-15-12-22-6-7-23-15)10-14-9-19-20-18(14)17-8-13-4-2-3-5-16(13)24-17/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,19,20)/p+1/t15-/m0/s1