(3-chloranyl-1-benzothiophen-2-yl)methyl-methyl-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]azanium

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl-methyl-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]azanium Openeye Name: (3-chlorobenzothiophen-2-yl)methyl-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]-methyl-ammonium CAS Name: (3-chloro-1-benzothiophen-2-yl)methyl-methyl-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]ammonium IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl-methyl-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]azanium Traditional Name: (3-chlorobenzothiophen-2-yl)methyl-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]-methyl-ammonium Formula: C19H25ClN3O2S2+ MolecularWeight: 427.0037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+](C)CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)C)C[NH+](C)CC2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H24ClN3O2S2/c1-13(2)10-23-14(9-21-19(23)27(4,24)25)11-22(3)12-17-18(20)15-7-5-6-8-16(15)26-17/h5-9,13H,10-12H2,1-4H3/p+1