[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl-phenethyl-(phenylmethyl)azanium

Systemtic Name: [3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl-phenethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-phenethyl-ammonium CAS Name: [3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl-phenethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]-phenethylazanium Traditional Name: benzyl-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-phenethyl-ammonium Formula: C24H32N3O2S+ MolecularWeight: 426.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+](CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2S/c1-20(2)17-27-23(16-25-24(27)30(3,28)29)19-26(18-22-12-8-5-9-13-22)15-14-21-10-6-4-7-11-21/h4-13,16,20H,14-15,17-19H2,1-3H3/p+1