5-(1-benzofuran-2-yl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole

Systemtic Name: 5-(1-benzofuran-2-yl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole Openeye Name: 5-(benzofuran-2-yl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole CAS Name: 5-(2-benzofuranyl)-4-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]-1H-pyrazole IUPAC Name: 5-(1-benzofuran-2-yl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole Traditional Name: 5-(benzofuran-2-yl)-4-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC[NH+](C1)CC2=C(NN=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2/c1-22-12-13-6-7-21(10-13)11-15-9-19-20-18(15)17-8-14-4-2-3-5-16(14)23-17/h2-5,8-9,13H,6-7,10-12H2,1H3,(H,19,20)/p+1/t13-/m0/s1