(3S)-1-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: (3S)-1-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-1-(2-furylmethyl)-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-(2-furanylmethyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3S)-1-(2-furfuryl)-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(NN=C1)C2CCC[NH+](C2)CC3=CC=CO3

Isomeric SMILES

CC(C)CC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=CC=CO3

InChI

InChI=1S/C17H25N3O/c1-13(2)9-15-10-18-19-17(15)14-5-3-7-20(11-14)12-16-6-4-8-21-16/h4,6,8,10,13-14H,3,5,7,9,11-12H2,1-2H3,(H,18,19)/p+1/t14-/m0/s1