(4-tert-butylphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-tert-butylphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-tert-butylphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-tert-butylphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-tert-butylphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=NN3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=NN3

InChI

InChI=1S/C20H27N3O/c1-20(2,3)17-8-6-15(7-9-17)19(24)16-5-4-12-23(13-16)14-18-10-11-21-22-18/h6-11,16H,4-5,12-14H2,1-3H3,(H,21,22)/p+1/t16-/m0/s1