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

Systemtic Name: 1-ethyl-4-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-1-ium CAS Name: 1-ethyl-4-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperazin-1-ium Traditional Name: 1-ethyl-4-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperazin-1-ium Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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