(2S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-2-(2-pyrazol-1-ylethyl)piperidin-1-ium

Systemtic Name: (2S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-2-(2-pyrazol-1-ylethyl)piperidin-1-ium Openeye Name: (2S)-1-[(3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-2-(2-pyrazol-1-ylethyl)piperidin-1-ium CAS Name: (2S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-2-[2-(1-pyrazolyl)ethyl]piperidin-1-ium IUPAC Name: (2S)-1-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-(2-pyrazol-1-ylethyl)piperidin-1-ium Traditional Name: (2S)-1-[(3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl]-2-(2-pyrazol-1-ylethyl)piperidin-1-ium Formula: C22H38N5O2S+ MolecularWeight: 436.63442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCCCC2CCN3C=CC=N3

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+]2CCCC[C@H]2CCN3C=CC=N3

InChI

InChI=1S/C22H37N5O2S/c1-18(2)9-15-27-21(16-23-22(27)30(28,29)19(3)4)17-25-12-6-5-8-20(25)10-14-26-13-7-11-24-26/h7,11,13,16,18-20H,5-6,8-10,12,14-15,17H2,1-4H3/p+1/t20-/m0/s1