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

Systemtic Name: ethyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-ethyl-(4-pyridylmethyl)ammonium CAS Name: ethyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-ethyl-(pyridin-4-ylmethyl)azanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-ethyl-(4-pyridylmethyl)ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=CN=C(N2CC(C)C)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=CN=C(N2CC(C)C)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2S/c1-4-26(16-20-10-12-24-13-11-20)17-22-14-25-23(27(22)15-19(2)3)30(28,29)18-21-8-6-5-7-9-21/h5-14,19H,4,15-18H2,1-3H3/p+1