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

Systemtic Name: 1-ethyl-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-ethyl-piperazin-4-ium CAS Name: 1-ethyl-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-ethylpiperazin-4-ium Traditional Name: 1-[(2-benzylsulfonyl-3-isobutyl-imidazol-4-yl)methyl]-4-ethyl-piperazin-4-ium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CN=C(N2CC(C)C)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CN=C(N2CC(C)C)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O2S/c1-4-23-10-12-24(13-11-23)16-20-14-22-21(25(20)15-18(2)3)28(26,27)17-19-8-6-5-7-9-19/h5-9,14,18H,4,10-13,15-17H2,1-3H3/p+1