1-[4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]ethanone Formula: C20H37N4O3S+ MolecularWeight: 413.59778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)C[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C20H36N4O3S/c1-5-6-9-24-19(16-22-10-12-23(13-11-22)18(4)25)15-21-20(24)28(26,27)14-7-8-17(2)3/h15,17H,5-14,16H2,1-4H3/p+1