1-methyl-4-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-imidazol-4-yl]methyl]piperazin-1-ium Openeye Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[[3-(2-methylpropyl)-2-(phenylmethyl)sulfonyl-4-imidazolyl]methyl]piperazin-1-ium IUPAC Name: 1-[[2-benzylsulfonyl-3-(2-methylpropyl)imidazol-4-yl]methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-4-methyl-piperazin-4-ium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)CN3CC[NH+](CC3)C

Isomeric SMILES

CC(C)CN1C(=CN=C1S(=O)(=O)CC2=CC=CC=C2)CN3CC[NH+](CC3)C

InChI

InChI=1S/C20H30N4O2S/c1-17(2)14-24-19(15-23-11-9-22(3)10-12-23)13-21-20(24)27(25,26)16-18-7-5-4-6-8-18/h4-8,13,17H,9-12,14-16H2,1-3H3/p+1