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

Systemtic Name: (2S)-4-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-1,2-dimethyl-piperazin-1-ium Openeye Name: (2S)-4-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-1,2-dimethyl-piperazin-1-ium CAS Name: (2S)-4-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-1,2-dimethylpiperazin-1-ium IUPAC Name: (2S)-4-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-1,2-dimethylpiperazin-1-ium Traditional Name: (2S)-4-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-1,2-dimethyl-piperazin-1-ium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CC[NH+](C(C3)C)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)CN3CC[NH+]([C@H](C3)C)C

InChI

InChI=1S/C20H30N4O2S/c1-4-27(25,26)20-21-14-19(16-23-13-12-22(3)17(2)15-23)24(20)11-10-18-8-6-5-7-9-18/h5-9,14,17H,4,10-13,15-16H2,1-3H3/p+1/t17-/m0/s1