[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium

Systemtic Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: (3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C20H34N5O2S+ MolecularWeight: 408.58126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CC2=NC=CN=C2

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+](C)CC2=NC=CN=C2

InChI

InChI=1S/C20H33N5O2S/c1-5-6-11-25-19(16-24(4)15-18-13-21-9-10-22-18)14-23-20(25)28(26,27)12-7-8-17(2)3/h9-10,13-14,17H,5-8,11-12,15-16H2,1-4H3/p+1