1-(2,2-dimethylpropyl)-4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: 1-(2,2-dimethylpropyl)-4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,2-dimethylpropyl)piperidin-1-ium CAS Name: 1-(2,2-dimethylpropyl)-4-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 4-(4-benzyl-1H-pyrazol-5-yl)-1-(2,2-dimethylpropyl)piperidin-1-ium Traditional Name: 4-(4-benzyl-1H-pyrazol-5-yl)-1-neopentyl-piperidin-1-ium Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)C2=C(C=NN2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)C2=C(C=NN2)CC3=CC=CC=C3

InChI

InChI=1S/C20H29N3/c1-20(2,3)15-23-11-9-17(10-12-23)19-18(14-21-22-19)13-16-7-5-4-6-8-16/h4-8,14,17H,9-13,15H2,1-3H3,(H,21,22)/p+1