methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-(pyridin-2-ylmethyl)azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-methyl-(2-pyridylmethyl)ammonium CAS Name: methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-(2-pyridinylmethyl)ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-methyl-(pyridin-2-ylmethyl)azanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-methyl-(2-pyridylmethyl)ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](C)CC3=CC=CC=N3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](C)CC3=CC=CC=N3

InChI

InChI=1S/C22H28N4O2S/c1-18(2)14-26-21(16-25(3)15-20-11-7-8-12-23-20)13-24-22(26)29(27,28)17-19-9-5-4-6-10-19/h4-13,18H,14-17H2,1-3H3/p+1