(3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium

Systemtic Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium Openeye Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium CAS Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[[5-(methoxymethyl)-2-furanyl]methyl]piperidin-1-ium IUPAC Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium Traditional Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[[5-(methoxymethyl)-2-furyl]methyl]piperidin-1-ium Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN=C1)C2CCC[NH+](C2)CC3=CC=C(O3)COC

Isomeric SMILES

CCC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=CC=C(O3)COC

InChI

InChI=1S/C17H25N3O2/c1-3-13-9-18-19-17(13)14-5-4-8-20(10-14)11-15-6-7-16(22-15)12-21-2/h6-7,9,14H,3-5,8,10-12H2,1-2H3,(H,18,19)/p+1/t14-/m0/s1