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

Systemtic Name: (3S)-1-(2-methylpropyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-1-isobutyl-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium CAS Name: (3S)-1-(2-methylpropyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-(2-methylpropyl)-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3S)-1-isobutyl-3-(4-isobutyl-1H-pyrazol-5-yl)piperidin-1-ium Formula: C16H30N3+ MolecularWeight: 264.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H29N3/c1-12(2)8-15-9-17-18-16(15)14-6-5-7-19(11-14)10-13(3)4/h9,12-14H,5-8,10-11H2,1-4H3,(H,17,18)/p+1/t14-/m0/s1