1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-4-propyl-piperazin-4-ium

Systemtic Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-4-propyl-piperazin-4-ium Openeye Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-4-propyl-piperazin-4-ium CAS Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-4-propylpiperazin-4-ium IUPAC Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-4-propylpiperazin-4-ium Traditional Name: 1-[[2-esyl-3-(3-phenylpropyl)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(N2CCCC3=CC=CC=C3)S(=O)(=O)CC

Isomeric SMILES

CCC[NH+]1CCN(CC1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)CC

InChI

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