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

Systemtic Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-4-methylpiperazin-4-ium Traditional Name: 1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-4-methyl-piperazin-4-ium Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN3CC[NH+](CC3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN3CC[NH+](CC3)C

InChI

InChI=1S/C20H30N4O2S/c1-3-27(25,26)20-21-16-19(17-23-14-12-22(2)13-15-23)24(20)11-7-10-18-8-5-4-6-9-18/h4-6,8-9,16H,3,7,10-15,17H2,1-2H3/p+1