methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: [3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C20H28N5O2S+ MolecularWeight: 402.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=CC=NN3

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=CC=NN3

InChI

InChI=1S/C20H27N5O2S/c1-16(2)15-28(26,27)20-21-11-19(14-24(3)13-18-9-10-22-23-18)25(20)12-17-7-5-4-6-8-17/h4-11,16H,12-15H2,1-3H3,(H,22,23)/p+1