methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-phenethyl-azanium

Systemtic Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-phenethyl-azanium Openeye Name: (3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-methyl-phenethyl-ammonium CAS Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-phenethylammonium IUPAC Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-phenethylazanium Traditional Name: (3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-methyl-phenethyl-ammonium Formula: C21H34N3O2S+ MolecularWeight: 392.57856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)CCC2=CC=CC=C2

InChI

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