1-(5-chloranyl-2-methyl-phenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonyl-imidazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(5-chloro-2-methyl-phenyl)-4-[(3-isobutyl-2-methylsulfonyl-imidazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(5-chloro-2-methylphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonyl-4-imidazolyl]methyl]piperazin-4-ium IUPAC Name: 1-(5-chloro-2-methylphenyl)-4-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-(5-chloro-2-methyl-phenyl)-4-[(3-isobutyl-2-mesyl-imidazol-4-yl)methyl]piperazin-4-ium Formula: C20H30ClN4O2S+ MolecularWeight: 425.9958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CN=C(N3CC(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=CN=C(N3CC(C)C)S(=O)(=O)C

InChI

InChI=1S/C20H29ClN4O2S/c1-15(2)13-25-18(12-22-20(25)28(4,26)27)14-23-7-9-24(10-8-23)19-11-17(21)6-5-16(19)3/h5-6,11-12,15H,7-10,13-14H2,1-4H3/p+1