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

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

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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=CC=C3

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=CC=CC=C3

InChI

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