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

Systemtic Name: (2S)-4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-1,2-dimethyl-piperazin-1-ium Openeye Name: (2S)-4-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-1,2-dimethyl-piperazin-1-ium CAS Name: (2S)-4-[[3-butyl-2-(4-methylpentylsulfonyl)-4-imidazolyl]methyl]-1,2-dimethylpiperazin-1-ium IUPAC Name: (2S)-4-[[3-butyl-2-(4-methylpentylsulfonyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazin-1-ium Traditional Name: (2S)-4-[(3-butyl-2-isohexylsulfonyl-imidazol-4-yl)methyl]-1,2-dimethyl-piperazin-1-ium Formula: C20H39N4O2S+ MolecularWeight: 399.61426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)CN2CC[NH+](C(C2)C)C

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CCCC(C)C)CN2CC[NH+]([C@H](C2)C)C

InChI

InChI=1S/C20H38N4O2S/c1-6-7-10-24-19(16-23-12-11-22(5)18(4)15-23)14-21-20(24)27(25,26)13-8-9-17(2)3/h14,17-18H,6-13,15-16H2,1-5H3/p+1/t18-/m0/s1