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

Systemtic Name: diethyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]azanium Openeye Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-diethyl-ammonium CAS Name: diethyl-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]ammonium IUPAC Name: [2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl-diethylazanium Traditional Name: (2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl-diethyl-ammonium Formula: C19H30N3O2S+ MolecularWeight: 364.5254

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CN=C(N1CC(C)C)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CC1=CN=C(N1CC(C)C)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O2S/c1-5-21(6-2)14-18-12-20-19(22(18)13-16(3)4)25(23,24)15-17-10-8-7-9-11-17/h7-12,16H,5-6,13-15H2,1-4H3/p+1