1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-4-propan-2-yl-piperazin-4-ium

Systemtic Name: 1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]-4-propan-2-yl-piperazin-4-ium Openeye Name: 1-isopropyl-4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-1-ium CAS Name: 1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-4-propan-2-ylpiperazin-4-ium IUPAC Name: 1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]-4-propan-2-ylpiperazin-4-ium Traditional Name: 1-isopropyl-4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-1-ium Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

InChI

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