(2S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methyl-2-phenyl-piperazin-4-ium

Systemtic Name: (2S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methyl-2-phenyl-piperazin-4-ium Openeye Name: (2S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methyl-2-phenyl-piperazin-4-ium CAS Name: (2S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl]-4-methyl-2-phenylpiperazin-4-ium IUPAC Name: (2S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methyl-2-phenylpiperazin-4-ium Traditional Name: (2S)-1-[[2-esyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-methyl-2-phenyl-piperazin-4-ium Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCOC)CN2CC[NH+](CC2C3=CC=CC=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCOC)CN2CC[NH+](C[C@@H]2C3=CC=CC=C3)C

InChI

InChI=1S/C20H30N4O3S/c1-4-28(25,26)20-21-14-18(24(20)12-13-27-3)15-23-11-10-22(2)16-19(23)17-8-6-5-7-9-17/h5-9,14,19H,4,10-13,15-16H2,1-3H3/p+1/t19-/m1/s1