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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c1-17(2)28(26,27)21-22-14-20(16-24-13-12-23(4)18(3)15-24)25(21)11-10-19-8-6-5-7-9-19/h5-9,14,17-18H,10-13,15-16H2,1-4H3/p+1/t18-/m0/s1