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

Systemtic Name: (2S)-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,2-dimethyl-piperazin-1-ium Openeye Name: (2S)-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,2-dimethyl-piperazin-1-ium CAS Name: (2S)-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-1,2-dimethylpiperazin-1-ium IUPAC Name: (2S)-4-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazin-1-ium Traditional Name: (2S)-4-[[2-esyl-3-(3-phenylpropyl)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:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN3CC[NH+](C(C3)C)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN3CC[NH+]([C@H](C3)C)C

InChI

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