1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-4-propyl-piperazin-4-ium

Systemtic Name: 1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-4-propyl-piperazin-4-ium Openeye Name: 1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]-4-propyl-piperazin-4-ium CAS Name: 1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-4-propylpiperazin-4-ium IUPAC Name: 1-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-4-propylpiperazin-4-ium Traditional Name: 1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]-4-propyl-piperazin-4-ium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC(C)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC(C)C

InChI

InChI=1S/C22H34N4O2S/c1-4-10-24-11-13-25(14-12-24)17-21-15-23-22(29(27,28)18-19(2)3)26(21)16-20-8-6-5-7-9-20/h5-9,15,19H,4,10-14,16-18H2,1-3H3/p+1