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

Systemtic Name: methyl-(3-methylbutyl)-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]azanium Openeye Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-isopentyl-methyl-ammonium CAS Name: methyl-(3-methylbutyl)-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]ammonium IUPAC Name: [3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl-methyl-(3-methylbutyl)azanium Traditional Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-isoamyl-methyl-ammonium Formula: C21H34N3O2S+ MolecularWeight: 392.57856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH+](C)CC1=CN=C(N1CC2=CC=CC=C2)S(=O)(=O)CC(C)C

Isomeric SMILES

CC(C)CC[NH+](C)CC1=CN=C(N1CC2=CC=CC=C2)S(=O)(=O)CC(C)C

InChI

InChI=1S/C21H33N3O2S/c1-17(2)11-12-23(5)15-20-13-22-21(27(25,26)16-18(3)4)24(20)14-19-9-7-6-8-10-19/h6-10,13,17-18H,11-12,14-16H2,1-5H3/p+1