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

Systemtic Name: methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: methyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-methylazanium Traditional Name: benzyl-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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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=C3

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)C[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-19(2)15-26-22(17-25(3)16-20-10-6-4-7-11-20)14-24-23(26)29(27,28)18-21-12-8-5-9-13-21/h4-14,19H,15-18H2,1-3H3/p+1