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

Systemtic Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-imidazol-4-yl]methyl]-(pyrazin-2-ylmethyl)azanium Openeye Name: (3-isopentyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonyl-4-imidazolyl]methyl]-(2-pyrazinylmethyl)ammonium IUPAC Name: methyl-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-(pyrazin-2-ylmethyl)azanium Traditional Name: (3-isoamyl-2-isopropylsulfonyl-imidazol-4-yl)methyl-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C18H30N5O2S+ MolecularWeight: 380.5281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)CC2=NC=CN=C2

Isomeric SMILES

CC(C)CCN1C(=CN=C1S(=O)(=O)C(C)C)C[NH+](C)CC2=NC=CN=C2

InChI

InChI=1S/C18H29N5O2S/c1-14(2)6-9-23-17(11-21-18(23)26(24,25)15(3)4)13-22(5)12-16-10-19-7-8-20-16/h7-8,10-11,14-15H,6,9,12-13H2,1-5H3/p+1