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

Systemtic Name: 4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidin-1-ium Openeye Name: 1-isobutyl-4-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidin-1-ium IUPAC Name: 4-[4-(3-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidin-1-ium Traditional Name: 1-isobutyl-4-[4-(m-tolyl)-1H-pyrazol-5-yl]piperidin-1-ium Formula: C19H28N3+ MolecularWeight: 298.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC(C)C

InChI

InChI=1S/C19H27N3/c1-14(2)13-22-9-7-16(8-10-22)19-18(12-20-21-19)17-6-4-5-15(3)11-17/h4-6,11-12,14,16H,7-10,13H2,1-3H3,(H,20,21)/p+1