(4-tert-butylphenyl)-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-tert-butylphenyl)-[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-tert-butylphenyl)-[(3S)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-tert-butylphenyl)-[(3S)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-tert-butylphenyl)-[(3S)-1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C23H34N3O+ MolecularWeight: 368.53556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H33N3O/c1-17(2)26-15-18(13-24-26)14-25-12-6-7-20(16-25)22(27)19-8-10-21(11-9-19)23(3,4)5/h8-11,13,15,17,20H,6-7,12,14,16H2,1-5H3/p+1/t20-/m0/s1