2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine

Systemtic Name: 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Openeye Name: 3-[4-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]-2,5-dimethyl-pyrazine CAS Name: 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]-1-piperazin-4-iumyl]pyrazine IUPAC Name: 2,5-dimethyl-3-[4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Traditional Name: 3-[4-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperazin-4-ium-1-yl]-2,5-dimethyl-pyrazine Formula: C19H31N6O2S+ MolecularWeight: 407.55344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)N2CC[NH+](CC2)CC3=CN=C(N3CC(C)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=CN=C(C(=N1)N2CC[NH+](CC2)CC3=CN=C(N3CC(C)C)S(=O)(=O)C)C

InChI

InChI=1S/C19H30N6O2S/c1-14(2)12-25-17(11-21-19(25)28(5,26)27)13-23-6-8-24(9-7-23)18-16(4)20-10-15(3)22-18/h10-11,14H,6-9,12-13H2,1-5H3/p+1