(3S)-1-[(5-ethylfuran-2-yl)methyl]-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: (3S)-1-[(5-ethylfuran-2-yl)methyl]-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-1-[(5-ethyl-2-furyl)methyl]-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3S)-1-[(5-ethyl-2-furanyl)methyl]-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-[(5-ethylfuran-2-yl)methyl]-3-[4-(3-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3S)-1-[(5-ethyl-2-furyl)methyl]-3-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCCC(C2)C3=C(C=NN3)C4=CC(=CC=C4)C

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C3=C(C=NN3)C4=CC(=CC=C4)C

InChI

InChI=1S/C22H27N3O/c1-3-19-9-10-20(26-19)15-25-11-5-8-18(14-25)22-21(13-23-24-22)17-7-4-6-16(2)12-17/h4,6-7,9-10,12-13,18H,3,5,8,11,14-15H2,1-2H3,(H,23,24)/p+1/t18-/m0/s1