(3S)-1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-methoxy-piperidin-1-ium

Systemtic Name: (3S)-1-[[3-(1-benzofuran-2-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Openeye Name: (3S)-1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]-3-methoxy-piperidin-1-ium CAS Name: (3S)-1-[[3-(2-benzofuranyl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-methoxypiperidin-1-ium IUPAC Name: (3S)-1-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-3-methoxypiperidin-1-ium Traditional Name: (3S)-1-[[3-(benzofuran-2-yl)-1-benzyl-pyrazol-4-yl]methyl]-3-methoxy-piperidin-1-ium Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCC[NH+](C1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

CO[C@H]1CCC[NH+](C1)CC2=CN(N=C2C3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C25H27N3O2/c1-29-22-11-7-13-27(18-22)16-21-17-28(15-19-8-3-2-4-9-19)26-25(21)24-14-20-10-5-6-12-23(20)30-24/h2-6,8-10,12,14,17,22H,7,11,13,15-16,18H2,1H3/p+1/t22-/m0/s1